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
-2.1458 0.0559 1.1568 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8998 -0.1907 -0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7556 0.3076 -1.1616 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7418 -0.9657 -0.7378 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5616 -0.3838 -0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1202 -0.7625 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3389 -0.2619 1.2969 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0244 0.6477 0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4826 1.0439 -0.6884 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2535 0.5242 -1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6154 -0.6719 1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8826 1.1138 1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2327 -0.0367 1.3992 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6351 0.8951 -0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5772 0.1278 -2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7305 -1.0353 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7616 -2.0247 -0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6307 -1.4781 1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7807 -0.5587 2.2386 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9723 1.0747 0.8013 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9931 1.7589 -1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8201 0.8204 -2.0420 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