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
3.0867 -0.9676 1.0981 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7713 0.1250 0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5454 0.7693 0.5889 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5180 0.6328 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1361 -0.8046 -0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3073 -1.0340 -0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2680 -0.3134 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7754 0.9677 0.5693 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6015 1.5626 -0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3905 -1.3993 1.7904 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0405 -1.4281 0.9472 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4507 0.5969 -0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0055 0.9397 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3921 -1.3217 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7157 -1.3445 -1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4961 -0.7705 -1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5033 -2.1228 -0.7825 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6175 -0.9747 0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1991 -0.1400 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5955 1.7314 0.5427 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5350 0.8539 1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2119 2.3970 0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9419 2.0449 -1.0858 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