Monomers
2,5-Dimethylstyrene
Identifiers
IUPAC name
2-ethenyl-1,4-dimethylbenzene
InchI
InChI=1S/C10H12/c1-4-10-7-8(2)5-6-9(10)3/h4-7H,1H2,2-3H3
InchI Key
DBWWINQJTZYDFK-UHFFFAOYSA-N
SMILES
C=Cc1cc(C)ccc1C
Canonical SMILES
CC1=CC(=C(C=C1)C)C=C
Isomeric SMILES
CC1=CC(=C(C=C1)C)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H12
Heavy Atom Count
10
Molecular Weight
132.206
Exact Molecular Weight
132.0939
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
2.9464
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
22 22 0 0 0 0 0 0 0 0999 V2000
-1.9165 -2.2710 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8641 -0.9879 -0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6522 -0.2232 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5366 -0.8598 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7132 -0.1070 0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9653 -0.8477 0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6607 1.2515 0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4741 1.8618 -0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6718 1.1536 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0036 1.7780 -0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0612 -2.8660 0.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8741 -2.7983 -0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8020 -0.4640 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6166 -1.9358 0.3312 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7348 -0.2084 1.0305 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3280 -1.2251 -0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7243 -1.7429 1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5994 1.7909 0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4487 2.9287 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6917 1.4883 0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9175 2.8833 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3468 1.4012 -1.4931 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 1 0
5 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
9 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
4 14 1 0
6 15 1 0
6 16 1 0
6 17 1 0
7 18 1 0
8 19 1 0
10 20 1 0
10 21 1 0
10 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers