Monomers
Allylcyclohexane
Identifiers
IUPAC name
prop-2-enylcyclohexane
InchI
InChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,9H,1,3-8H2
InchI Key
KVOZXXSUSRZIKD-UHFFFAOYSA-N
SMILES
C=CCC1CCCCC1
Canonical SMILES
C=CCC1CCCCC1
Isomeric SMILES
C=CCC1CCCCC1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H16
Heavy Atom Count
9
Molecular Weight
124.227
Exact Molecular Weight
124.1252
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.1428
H Bond Acceptors
0
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
25 25 0 0 0 0 0 0 0 0999 V2000
3.6689 0.2089 -0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6164 0.0407 0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5300 -0.9277 -0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2009 -0.2470 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9061 -1.2133 -0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1011 -0.3589 -0.9395 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4850 0.5620 0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3327 1.4379 0.6077 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2269 0.4761 1.0671 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4360 0.9139 -0.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8155 -0.3296 -1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5676 0.6305 1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8475 -1.4490 -0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5217 -1.6945 0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2902 0.4568 -1.0472 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6357 -1.9369 -1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1460 -1.7733 0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9321 -1.0638 -1.1272 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8193 0.2234 -1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3370 1.1939 -0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8215 0.0107 1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5978 2.0434 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9628 2.0708 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5711 0.9812 1.6001 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7618 -0.2561 1.7396 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
3 13 1 0
3 14 1 0
4 15 1 0
5 16 1 0
5 17 1 0
6 18 1 0
6 19 1 0
7 20 1 0
7 21 1 0
8 22 1 0
8 23 1 0
9 24 1 0
9 25 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers