Monomers
1,4-Divinylbenzene
Identifiers
IUPAC name
1,4-bis(ethenyl)benzene
InchI
InChI=1S/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h3-8H,1-2H2
InchI Key
WEERVPDNCOGWJF-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C=C
Canonical SMILES
C=CC1=CC=C(C=C1)C=C
Isomeric SMILES
C=CC1=CC=C(C=C1)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H10
Heavy Atom Count
10
Molecular Weight
130.19
Exact Molecular Weight
130.0783
Valence Electrons
50
Radical Electrons
0
tPSA
0.0
MolLogP
2.9726
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
20 20 0 0 0 0 0 0 0 0999 V2000
-3.6303 0.5538 -0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8483 -0.4541 0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4083 -0.3217 0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6415 -1.4555 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7337 -1.3940 0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4262 -0.2237 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6897 0.8849 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7149 0.8295 -0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8630 -0.1966 0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5821 0.8633 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2306 1.5181 -0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7077 0.4664 -0.1092 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3033 -1.4031 0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1627 -2.3746 0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2587 -2.3061 0.6878 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1589 1.8277 -0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2612 1.7323 -0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3814 -1.1325 0.4138 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6860 0.7749 -0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1291 1.8109 -0.3473 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
9 10 2 3
8 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
4 14 1 0
5 15 1 0
7 16 1 0
8 17 1 0
9 18 1 0
10 19 1 0
10 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers