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
-3.4379 -0.3541 -0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5894 0.4556 0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1534 0.2428 0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5368 -0.8033 -0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8505 -0.9613 -0.5763 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6798 -0.0544 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0859 1.0043 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2815 1.1493 0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1587 -0.2263 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0971 -1.2126 -0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4926 -0.1661 -0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9668 1.3124 0.7149 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1483 -1.5347 -1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3066 -1.7976 -1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7133 1.7376 1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7567 1.9872 1.2516 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5831 0.0958 -0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4504 -1.2950 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6322 0.4204 0.7679 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