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
3.4802 0.0487 -1.0645 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6303 -0.1631 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5410 0.6646 0.1256 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3663 0.1986 0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6638 1.2573 0.9173 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7659 1.1852 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3165 -0.2246 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1561 -1.0591 -0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1001 -1.1180 0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3307 0.8894 -1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3103 -0.6274 -1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7839 -1.0031 0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7303 0.0098 1.8667 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1435 1.3308 1.9327 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 2.2538 0.7719 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4399 1.4681 -1.1166 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5589 1.9035 0.2366 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5801 -0.5958 0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1831 -0.2301 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5527 -2.0947 -0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8289 -0.6478 -1.7076 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7722 -1.6952 -0.0882 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5032 -1.7509 1.1439 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