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
3.6181 -0.8951 0.5653 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7151 -0.4471 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7314 0.3810 0.1833 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4109 0.4235 -0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3591 1.4891 0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8194 1.1432 0.6017 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2381 0.3063 -0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5907 -1.0391 -0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2240 -0.9165 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5956 -0.6191 1.5974 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3890 -1.5459 0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7317 -0.7214 -1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3333 0.5653 -1.3813 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2675 2.4290 -0.0946 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1036 1.5817 1.4791 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4303 2.0570 0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0429 0.5873 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3448 0.2762 -0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9196 0.8579 -1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4705 -1.4819 -1.5535 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1817 -1.7554 0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4845 -1.6925 -0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2246 -0.9833 1.1582 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