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
3.4875 -0.5823 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6028 -0.3535 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3905 -0.9780 -0.7439 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3951 -0.4130 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8257 -1.3100 -0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0118 -0.6903 0.6608 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2810 0.6390 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1112 1.5400 0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1176 0.9840 -0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4472 -0.0576 0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2747 -1.2372 0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7897 0.3085 -1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7197 -0.3541 1.1454 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0538 -1.4246 -1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5410 -2.2903 0.4015 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7626 -0.5288 1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8569 -1.3859 0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2042 0.4275 -1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2409 1.0568 0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9293 1.5605 1.3923 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3190 2.5527 -0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0165 1.5874 -0.2034 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1039 0.9490 -1.4990 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