Monomers
(Vinyloxy)cyclohexane
Identifiers
IUPAC name
ethenoxycyclohexane
InchI
InChI=1S/C8H14O/c1-2-9-8-6-4-3-5-7-8/h2,8H,1,3-7H2
InchI Key
VGIYPVFBQRUBDD-UHFFFAOYSA-N
SMILES
C=COC1CCCCC1
Canonical SMILES
C=COC1CCCCC1
Isomeric SMILES
C=COC1CCCCC1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H14O
Heavy Atom Count
9
Molecular Weight
126.199
Exact Molecular Weight
126.1045
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.4792
H Bond Acceptors
1
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
23 23 0 0 0 0 0 0 0 0999 V2000
3.8419 0.0596 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7441 0.1625 0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6640 -0.6341 -0.0832 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3334 -0.3206 0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5368 -1.4091 -0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9862 -1.1306 -0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3878 0.2433 0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4790 1.2402 -0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0591 1.0536 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7310 0.6500 -0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9026 -0.6407 -1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7699 0.8793 1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3479 -0.3998 1.4771 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1604 -1.7095 -1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3357 -2.3167 0.4712 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5493 -1.8811 0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3801 -1.3037 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4400 0.4013 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4312 0.4333 -0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8144 2.2720 -0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5993 1.2156 -1.5326 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6431 1.3806 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1815 1.7545 0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
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 4 1 0
1 10 1 0
1 11 1 0
2 12 1 0
4 13 1 0
5 14 1 0
5 15 1 0
6 16 1 0
6 17 1 0
7 18 1 0
7 19 1 0
8 20 1 0
8 21 1 0
9 22 1 0
9 23 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers