Monomers

Octyl acrylate

Identifiers

IUPAC name
octyl prop-2-enoate
InchI
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,2-3,5-10H2,1H3
InchI Key
ANISOHQJBAQUQP-UHFFFAOYSA-N
SMILES
CCCCCCCCOC(=O)C=C
Canonical SMILES
CCCCCCCCOC(=O)C=C
Isomeric SMILES
CCCCCCCCOC(=O)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H20O2
Heavy Atom Count
13
Molecular Weight
184.279
Exact Molecular Weight
184.1463
Valence Electrons
76
Radical Electrons
0
tPSA
26.3
MolLogP
3.0761
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 33 32  0  0  0  0  0  0  0  0999 V2000
   -4.1885   -0.5725   -1.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3227    0.5620   -0.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5900    0.0158    0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6934    1.0463    0.8656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0216    0.4310    2.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2041   -0.7716    1.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8506   -0.3427    0.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7347   -1.5009    0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793   -1.0148   -0.6429 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.0467   -0.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6650    0.4643    0.7473 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5717    0.3932   -1.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4775    1.3106   -1.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4952   -1.1867   -2.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0484   -0.2001   -2.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4901   -1.1866   -0.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9971    1.3766   -0.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6531    0.8728   -1.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3331   -0.3529    0.9717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9545   -0.8576   -0.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9553    1.4100    0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2804    1.9556    1.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8089    0.1293    2.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4073    1.1938    2.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7918   -1.6354    1.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3164   -1.1231    2.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    0.4927    1.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4041    0.0311   -0.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153   -1.9851    1.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0752   -2.2219   -0.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4911   -0.0768   -2.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5819    1.7982   -0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1386    1.5921   -2.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  7 27  1  0
  7 28  1  0
  8 29  1  0
  8 30  1  0
 12 31  1  0
 13 32  1  0
 13 33  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers