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
3.4154 0.1083 -0.6369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5627 0.4527 0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1389 0.2283 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2882 0.6250 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0756 0.4433 1.1792 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6791 -0.1560 0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8658 -0.5578 -0.9366 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5232 -0.3698 -0.8972 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1445 -0.3771 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4784 0.2815 -0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0858 -0.3695 -1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9448 0.9305 1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7541 1.1040 2.0825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7247 0.7547 1.9838 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3023 -1.0321 -1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1330 -0.7037 -1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7257 0.4613 0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3954 -1.3467 0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4113 -0.4768 -1.0639 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