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
3.7751 -0.2046 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5779 0.3366 -0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5493 -0.2668 0.6728 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3468 -0.5308 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6131 -1.1688 0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8041 -0.2843 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4036 -0.0057 -0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4926 1.0401 -0.8173 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0547 0.7308 -0.7308 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6413 0.2143 -0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9747 -1.0891 0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4440 1.2173 -0.6262 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6659 -1.3198 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1368 -1.5093 1.8025 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0551 -2.1129 0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5115 -0.7663 1.8254 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3825 0.6700 1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.9059 -0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4115 0.3967 -0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8483 1.2121 -1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7658 2.0018 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3664 0.7147 -1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4584 1.6299 -0.2719 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