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
   -4.3567   -1.3909   -1.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3937   -0.7292   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103   -0.1224   -0.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2893    0.5243    0.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0817    1.1478   -0.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8275    1.7942    0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    0.8377    1.5851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1056   -0.2152    1.0399 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2626   -0.0481    0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515    1.1315    0.1115 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0074   -1.2041   -0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0977   -1.0564   -0.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3956   -1.1178   -0.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1493   -1.1429   -2.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3145   -2.5123   -0.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0788   -1.4927    0.6744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9112    0.0658    0.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5862    0.5937   -1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6804   -0.9213   -1.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8850    1.2811    0.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -0.2776    0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4918    1.9052   -1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4849    0.4204   -1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1626    2.5207    1.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6205    2.4007    0.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9183    1.4216    2.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5032    0.3930    2.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6316   -2.1987   -0.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5350   -0.0888   -1.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6120   -1.9195   -1.3239 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