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
3.5304 -0.0880 0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7349 0.0438 -0.8858 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5927 0.8062 -0.8302 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4184 0.3606 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6105 1.4180 -0.2755 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0193 1.0004 -0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2661 -0.4684 -0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3391 -1.1212 -1.1454 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0612 -0.9830 -0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4110 -0.6881 0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2963 0.4070 1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9623 -0.4509 -1.8156 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7364 0.2761 0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4580 1.9588 -1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3924 2.2028 0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4708 1.3844 0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6375 1.4738 -0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1441 -0.9148 0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3206 -0.6394 -0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5877 -2.2017 -1.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4398 -0.6820 -2.1416 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7428 -1.3258 -1.4741 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1994 -1.7687 0.1570 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