Monomers
Cyclohexyl acrylate
Identifiers
IUPAC name
cyclohexyl prop-2-enoate
InchI
InChI=1S/C9H14O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2,8H,1,3-7H2
InchI Key
KBLWLMPSVYBVDK-UHFFFAOYSA-N
SMILES
C=CC(=O)OC1CCCCC1
Canonical SMILES
C=CC(=O)OC1CCCCC1
Isomeric SMILES
C=CC(=O)OC1CCCCC1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H14O2
Heavy Atom Count
11
Molecular Weight
154.209
Exact Molecular Weight
154.0994
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
2.0483
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
25 25 0 0 0 0 0 0 0 0999 V2000
4.7528 -0.5973 -0.2606 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6440 0.0727 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3709 -0.5282 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3162 -1.6907 0.3886 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1510 0.0867 -0.1556 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0874 -0.4702 0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8517 0.2235 1.2438 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8813 1.2000 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9048 0.4532 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3738 -0.8261 -0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9421 -0.7140 -1.0744 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7213 -1.5973 0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6947 -0.1679 -0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7189 1.0802 -0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1595 -1.4997 0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1603 0.6473 1.9855 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4436 -0.5424 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5055 2.0369 0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3580 1.6244 1.6831 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7535 0.1703 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3540 1.0797 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4195 -1.6513 0.1145 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0432 -1.1076 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6785 -1.6891 -1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7721 0.0571 -1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 6 1 0
1 12 1 0
1 13 1 0
2 14 1 0
6 15 1 0
7 16 1 0
7 17 1 0
8 18 1 0
8 19 1 0
9 20 1 0
9 21 1 0
10 22 1 0
10 23 1 0
11 24 1 0
11 25 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers