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
3.3902 -0.7121 0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2679 -0.2612 0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3329 0.3457 0.1295 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4887 -0.4546 -0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2923 -1.3599 0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9798 -0.4157 1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0850 0.2665 0.4585 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8650 0.3833 -1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4576 0.3937 -1.4645 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5821 -0.6077 -0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1097 -1.1805 1.0902 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0719 -0.3662 2.0163 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1783 -1.0414 -1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3687 -2.0776 0.7615 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0612 -1.8533 -0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2886 -0.9426 2.1068 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2262 0.3637 1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0143 -0.3285 0.6337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2635 1.2528 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3501 1.3300 -1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4326 -0.4320 -1.5494 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4308 0.0837 -2.5386 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0433 1.4451 -1.4729 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