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
   -5.2389   -0.4455    0.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9523   -1.0791   -0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8247   -0.1738    0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4767   -0.6850   -0.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4491    0.3116    0.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648   -0.1071   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8812    0.9646    0.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2248    0.7582    0.2301 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8030    0.6678   -1.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0138    0.7874   -2.0124 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2184    0.4503   -1.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0182    0.3290   -0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4703    0.4628   -0.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0280   -1.2348    0.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1391   -0.2420    1.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8743   -2.0603    0.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0427   -1.1499   -1.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9701    0.8635    0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7806   -0.1505    1.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4144   -0.8685   -1.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2684   -1.6417    0.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6227    1.2953   -0.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4447    0.3801    1.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0693   -0.1561   -1.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139   -1.1021    0.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4822    1.9342    0.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7415    0.9538    1.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6060    0.3894   -2.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6876    0.3812    0.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0723    0.1671   -0.3747 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