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
3.4435 -0.3577 -0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5167 0.1738 0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0790 0.0575 0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1656 0.6540 1.1842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1728 0.5545 0.9336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6696 -0.1178 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7483 -0.7014 -1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6102 -0.6234 -0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1366 -0.2253 -0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2487 -0.9202 -1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4966 -0.2412 0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8205 0.7311 1.4929 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5555 1.1957 2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8598 1.0287 1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1163 -1.2356 -1.8649 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2988 -1.0897 -1.4655 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6858 0.0603 0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4162 -1.2738 -0.6567 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4297 0.4818 -1.2182 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