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
3.4235 -0.5575 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8492 0.6269 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6267 0.7801 -0.5825 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3819 0.6158 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6550 0.9035 -1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9554 1.0036 -0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3442 -0.3051 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2549 -1.1299 0.7968 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1272 -0.7956 0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3892 -0.7343 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9391 -1.4228 -0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3274 1.4868 0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2264 1.2745 0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3608 1.8476 -1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6105 0.0341 -1.7677 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8591 1.7834 0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7279 1.3323 -1.0985 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9240 -0.8565 -0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1325 -0.0780 1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4489 -2.2049 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3646 -1.1577 1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5259 -1.4617 -0.3519 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8211 -0.9845 1.3350 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