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
-3.4448 0.4817 -0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5748 -0.4650 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1409 -0.2631 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5397 0.9620 -0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8321 1.1150 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6734 0.0449 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 -1.1887 0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2759 -1.3254 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1499 0.1867 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5030 0.2900 -0.2026 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1267 1.4892 -0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9414 -1.4898 0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1346 1.8309 -0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2961 2.0882 -0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7016 -2.0680 0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7224 -2.3105 0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6069 -0.8164 0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5146 0.6758 1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5387 0.7627 -0.7451 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