Monomers
2-Methyl-3-phenyl-1-propene
Identifiers
IUPAC name
2-methylprop-2-enylbenzene
InchI
InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InchI Key
MXTNFIYGTWARIN-UHFFFAOYSA-N
SMILES
CC(=C)Cc1ccccc1
Canonical SMILES
CC(=C)CC1=CC=CC=C1
Isomeric SMILES
CC(=C)CC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H12
Heavy Atom Count
10
Molecular Weight
132.206
Exact Molecular Weight
132.0939
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
2.8052
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
22 22 0 0 0 0 0 0 0 0999 V2000
-2.1951 0.8704 0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7818 -0.5352 0.5597 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2680 -1.3097 1.5195 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7804 -1.1679 -0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4815 -0.4048 -0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7507 0.6748 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9150 1.4047 -0.9921 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8781 1.0405 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6451 -0.0425 0.7694 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4650 -0.7490 0.6624 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1858 1.1414 -0.6855 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5180 1.5899 0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2125 1.0477 0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9794 -2.3384 1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0031 -0.8625 2.2127 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6452 -2.2285 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1474 -1.0503 -1.4305 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0041 0.9732 -1.8063 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0937 2.2656 -1.6541 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7988 1.6281 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3968 -0.3420 1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2879 -1.6053 1.3214 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 5 1 0
1 11 1 0
1 12 1 0
1 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
6 18 1 0
7 19 1 0
8 20 1 0
9 21 1 0
10 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers