Monomers
4-Methylstyrene
Identifiers
IUPAC name
1-ethenyl-4-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InchI Key
JLBJTVDPSNHSKJ-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)C=C
Isomeric SMILES
CC1=CC=C(C=C1)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.638
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
19 19 0 0 0 0 0 0 0 0999 V2000
-2.6878 0.3664 2.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4277 0.4267 0.8734 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0781 0.1932 0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8612 0.2723 -1.0379 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3559 0.0711 -1.6224 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4443 -0.2279 -0.8234 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2539 -0.3112 0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0023 -0.1035 1.1323 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7750 -0.4484 -1.4566 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9534 0.1447 2.9061 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6908 0.5409 2.5299 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2439 0.6592 0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7389 0.5108 -1.6531 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4884 0.1410 -2.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0929 -0.5447 1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1134 -0.1765 2.2091 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9029 -1.5405 -1.6423 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5798 -0.1396 -0.7485 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8998 0.1660 -2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
8 3 1 0
1 10 1 0
1 11 1 0
2 12 1 0
4 13 1 0
5 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
9 18 1 0
9 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers