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
3.8323 0.8165 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6847 0.2429 -0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6211 0.3834 0.5822 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4095 -0.3190 0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5435 0.0371 1.4629 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8701 0.5355 0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4286 -0.2176 -0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4640 -0.4143 -1.3003 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0725 0.0437 -1.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6899 0.7288 -0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9637 1.3852 0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6044 -0.3188 -1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5557 -1.4240 0.3835 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7195 -0.8264 2.1444 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1186 0.8405 2.1345 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5909 0.4107 1.8411 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8288 1.6384 0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7143 -1.2412 0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3617 0.2942 -0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8348 0.1821 -2.1779 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4307 -1.4661 -1.6532 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6060 -0.4655 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0106 1.1326 -1.2300 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