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
2.2377 -1.6764 1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9583 -1.4065 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6523 -1.1319 -0.5817 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2265 0.0526 -1.2133 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5447 1.2938 -0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4145 1.5296 0.7048 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1505 0.3117 1.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7937 -0.4538 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2826 -0.0274 -1.3107 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2580 -1.8915 1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4948 -1.6913 1.7786 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7175 -1.3962 -1.0183 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6962 0.1942 -2.2088 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6094 1.3058 -0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4457 2.1554 -1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1618 1.9206 1.5792 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1964 2.2942 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9613 0.6418 1.8551 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4995 -0.3573 1.8061 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8901 -0.3013 0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5864 -1.5282 0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5670 -0.8087 -2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6607 0.9707 -1.6007 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