Monomers

2-Cyclohexylacrylic acid methyl ester

Identifiers

IUPAC name
methyl 2-cyclohexylprop-2-enoate
InchI
InChI=1S/C10H16O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InchI Key
XHYNRSNMLFADHQ-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)C1CCCCC1
Canonical SMILES
COC(=O)C(=C)C1CCCCC1
Isomeric SMILES
COC(=O)C(=C)C1CCCCC1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16O2
Heavy Atom Count
12
Molecular Weight
168.236
Exact Molecular Weight
168.115
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.2959
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 28 28  0  0  0  0  0  0  0  0999 V2000
    4.5661   -0.5538   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3827    0.0451   -0.5315 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1184   -0.4214   -0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0512   -1.4027    0.5533 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8960    0.2190   -0.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0668    1.2435   -1.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4319   -0.3241   -0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5413   -0.4952    1.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9384   -0.4376    1.6317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8520    0.5328    0.9743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8885    0.1534   -0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5031    0.4701   -1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8757   -1.4325   -0.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4564   -0.8394    1.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3769    0.1976   -0.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0498    1.5888   -1.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2206    1.7357   -1.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621   -1.3581   -0.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1140   -1.4700    1.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0472    0.2830    1.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9058   -0.1676    2.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4194   -1.4383    1.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8629    0.3885    1.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5422    1.5861    1.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5855    0.8455   -1.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1611   -0.8972   -0.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3815    1.5696   -0.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5181    0.3793   -2.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
 10 23  1  0
 10 24  1  0
 11 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers