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
3.5963 0.6774 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5498 0.6784 -0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6265 -0.3206 -0.7244 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5179 -0.3027 0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2972 -1.5257 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7426 -1.4522 0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3955 -0.1224 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5278 1.0227 0.6318 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1742 0.9961 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7216 -0.1128 0.7019 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3180 1.4970 -0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3845 1.4594 -1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0049 -0.2641 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0847 -1.9450 -0.9983 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1653 -2.3159 0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0188 -2.0081 1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2952 -2.0487 -0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2563 -0.1161 1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9042 0.1230 -0.6978 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0229 1.9714 0.3383 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3634 1.0528 1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2251 1.2440 -1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4230 1.8121 0.4434 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