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
3.9303 0.0650 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6874 -0.3434 -0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6339 0.5488 -0.0916 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3303 0.1697 -0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1400 -0.9627 0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5992 -1.2767 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4665 -0.0503 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6611 1.1912 0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5894 1.3459 -0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1666 1.1290 -0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7695 -0.6065 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4836 -1.4002 -0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5145 -0.2276 -1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0202 -0.6508 1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4421 -1.8697 0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9370 -1.9774 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6799 -1.7999 -0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3231 -0.1705 0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8639 0.1637 -0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2208 1.0150 1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3351 2.0466 0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0429 2.3004 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 1.3602 -1.5443 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