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
3.9269 -0.0508 -0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7206 -0.3605 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6446 0.3529 -0.4834 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3971 0.3884 0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5997 1.2403 -0.5419 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8813 1.2278 0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4248 -0.1808 0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4950 -1.1848 -0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1473 -0.9925 0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1025 0.7483 -1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8159 -0.5921 -0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5889 -1.1651 0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5724 0.8870 1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2505 2.2698 -0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7821 0.8321 -1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6272 1.9305 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5606 1.5889 1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5196 -0.4524 1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4243 -0.2742 -0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 -1.1077 -1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8657 -2.1973 0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5873 -1.7532 0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3353 -1.1547 1.5024 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