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
3.2781 -0.1583 -0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5691 0.5284 -0.8931 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3413 1.0509 -0.5539 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5086 0.4791 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1644 -0.9326 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1706 -1.3791 0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3017 -0.4867 0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8598 0.8955 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7172 1.3321 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2426 -0.5834 -0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8961 -0.3177 0.9656 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9948 0.6636 -1.8829 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0722 0.4857 1.3917 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1836 -1.0346 -1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9309 -1.6218 0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3734 -2.3874 0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0754 -1.4759 1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9860 -0.3832 1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8896 -0.9036 -0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7034 1.5887 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5865 0.9645 -1.2999 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0577 1.2839 1.7062 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4604 2.3921 0.4141 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