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
3.4148 0.4203 0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7295 -0.6438 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4616 -0.9104 0.2933 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2980 -0.8348 -0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8595 -1.2162 0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1631 -0.6564 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1888 0.8346 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7572 1.3484 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0568 0.5372 -1.0622 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4154 0.6002 -0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0143 1.1580 0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2042 -1.3290 -0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3100 -1.5471 -1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6494 -0.8701 1.4704 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9707 -2.3093 0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3684 -1.1547 -1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9530 -0.9932 0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7616 1.3141 0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6469 1.1782 -1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7081 2.4363 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3922 1.1039 0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0160 1.0454 -1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5017 0.4882 -2.0094 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