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
   -4.4899    0.2988    0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2774    1.2155    0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1119    0.5405   -0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7751   -0.7011    0.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6279   -1.4763   -0.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.6797   -0.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1236   -0.2141    0.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038    0.5215    0.8318 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5184    0.0694    0.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5734   -1.1177   -0.0676 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7016    0.9455    0.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8196    0.4452   -0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6068   -0.0823   -0.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3786   -0.5029    0.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3837    0.8904    0.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690    1.3802    1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5595    2.1700   -0.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3518    0.2629   -1.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2890    1.2750   -0.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6650   -1.3635    0.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6099   -0.4158    1.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -2.3794    0.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8987   -1.7272   -1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4102   -1.3560   -0.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5749    0.1884   -1.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1906   -1.0861    1.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3566    0.4622    1.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6581    1.9657    0.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7353    1.0389   -0.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8471   -0.5680   -0.5164 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