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
3.2454 0.8078 0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8408 -0.1931 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6737 -0.8622 0.1603 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4219 -0.5499 -0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5694 -1.5714 0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7000 -0.9489 0.9006 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3448 0.1766 0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3499 1.2350 -0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0693 0.8531 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1681 1.3335 0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6516 1.1528 1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4693 -0.4900 -0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4276 -0.5793 -1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0907 -2.3236 0.7977 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0169 -2.1638 -0.7105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4905 -1.7355 1.0068 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4313 -0.6334 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8035 -0.2835 -0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1546 0.6195 0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5654 2.1761 0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4638 1.4823 -1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7167 1.5390 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2964 0.9589 1.1092 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