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
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
3.6565 1.1746 1.5466 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5416 0.6190 0.8707 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6187 1.4606 0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8262 2.6956 0.3402 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4443 0.9568 -0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3681 1.8280 -0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2033 -0.4847 -0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8429 -0.9080 -1.5369 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2422 -0.9647 -1.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3707 -0.5858 0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3640 -1.3181 1.2439 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0326 -1.1820 0.7605 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3347 2.1841 1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4395 1.3921 0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9852 0.5982 2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1297 2.8945 -0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2484 1.5057 -1.5307 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2138 -0.8901 -0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5431 -1.8867 -2.0237 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8067 -0.1989 -2.4162 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8569 -0.2287 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7233 -1.9590 -1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4123 -0.8836 0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3725 0.5090 0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5014 -1.0126 2.3051 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6465 -2.3915 1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6626 -0.7131 1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4694 -2.2105 0.6515 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