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
3.0894 -0.9293 1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4064 -0.2891 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4639 -0.9006 -0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0600 -0.3894 -0.7693 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4201 -0.6745 0.6587 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6509 0.0983 0.9976 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4081 0.4058 -0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5872 1.3739 -1.0776 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1043 1.0593 -1.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0039 -1.9958 1.1636 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7620 -0.3826 1.6527 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5690 0.7783 0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4379 -2.0072 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8220 -0.6561 -1.8888 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6267 -0.9602 -1.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6121 -1.7684 0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3619 -0.4210 1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3766 1.0054 1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3032 -0.5440 1.6326 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5390 -0.5263 -0.8319 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3925 0.8465 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7040 2.4300 -0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9426 1.3794 -2.1228 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3839 1.6481 -0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3070 1.4194 -1.9718 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