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
3.0014 0.7512 -0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7644 -0.4716 0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6213 -0.7429 0.9325 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4053 -0.2085 0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0850 -0.7216 -0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3866 -0.3856 -1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7624 0.8344 -0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8250 0.5010 1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7675 -0.5832 1.3229 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3455 1.5803 -0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9057 0.9230 -0.8414 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4529 -1.2748 0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5112 0.8963 0.4662 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2801 -1.7928 -0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6827 -0.1484 -1.6987 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5134 -0.1858 -2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0441 -1.2198 -0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7583 1.1972 -0.7387 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0547 1.6642 -0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4405 1.3968 1.6439 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8182 0.1866 1.4045 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4964 -0.6177 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1883 -1.5783 0.9918 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