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
-1.6222 0.0915 -1.8578 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8364 0.2782 -0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9478 -0.2190 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8795 0.9762 0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4588 0.3392 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7702 -0.6390 1.4073 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0219 -1.1944 1.3806 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9354 -0.7679 0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6602 0.2128 -0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3797 0.7441 -0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3030 0.7701 -2.4141 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9690 -0.9521 -2.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6020 0.2825 -2.1789 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1323 -0.1008 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6957 -0.7417 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2555 0.9585 1.5212 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7666 2.0461 0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0204 -0.9719 2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2550 -1.9597 2.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9361 -1.2140 0.4368 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3971 0.5354 -1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1751 1.5258 -1.1522 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