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
    4.9280   -0.2291   -0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897    0.2122    0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6548   -0.0437   -1.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2361    0.3901   -0.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6832   -0.3991    0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7539    0.0354    0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6237   -0.1999   -0.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9538    0.2147   -0.2507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7182   -0.3147    0.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2702   -1.2429    1.4555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0517    0.1826    0.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5433    1.1474    0.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407   -1.3243   -0.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1119    0.0818   -1.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5657    0.3078    0.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4679    1.2667    0.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1626   -0.3990    1.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6213   -1.1471   -1.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0902    0.4798   -1.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3016    1.4784   -0.5326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5979    0.2873   -1.7232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234   -0.1537    1.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7567   -1.4775    0.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1150   -0.4389    1.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6822    1.1398    0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6355   -1.2265   -0.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3544    0.4785   -1.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6360   -0.2506    1.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9632    1.5804   -0.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5309    1.5138    0.4529 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