Monomers

Heptyl acrylate

Identifiers

IUPAC name
heptyl prop-2-enoate
InchI
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-12-10(11)4-2/h4H,2-3,5-9H2,1H3
InchI Key
SCFQUKBBGYTJNC-UHFFFAOYSA-N
SMILES
CCCCCCCOC(=O)C=C
Canonical SMILES
CCCCCCCOC(=O)C=C
Isomeric SMILES
CCCCCCCOC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H18O2
Heavy Atom Count
12
Molecular Weight
170.252
Exact Molecular Weight
170.1307
Valence Electrons
70
Radical Electrons
0
tPSA
26.3
MolLogP
2.686
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

 30 29  0  0  0  0  0  0  0  0999 V2000
   -4.2420    1.5846    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5800    0.4556    0.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3601    0.0110    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7185   -1.1325    0.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4995   -1.6464    0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5853   -0.6049   -0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -1.2981   -0.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8189   -0.4659   -1.0555 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5469    0.1857   -0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1854    0.0024    1.1126 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6815    1.0495   -0.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3199    1.6325    0.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5528    2.3400    0.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1854    1.2536   -0.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5516    2.0092   -0.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3065   -0.3693    0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2764    0.7439    1.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6496    0.8513   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7043   -0.3074   -0.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4994   -0.8789    1.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4641   -1.9692    0.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7472   -2.1280   -0.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0839   -2.4771    0.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8665   -0.2655    0.9147 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1721    0.2326   -0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9526   -2.2114   -0.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -1.6170   -1.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0232    1.2326   -1.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0427    1.5025    1.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1719    2.2846    0.4610 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  2  0
  9 11  1  0
 11 12  2  3
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  5 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
  7 26  1  0
  7 27  1  0
 11 28  1  0
 12 29  1  0
 12 30  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers