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
-0.9372 3.4126 0.8809 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5491 2.3716 0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8647 1.1088 0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5961 0.0225 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0047 -1.1913 -0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3428 -1.3342 -0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0686 -0.2728 0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4713 0.9591 0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9578 -2.6252 -0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2326 -2.8286 -0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4845 4.3358 1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0951 3.4380 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6089 2.4219 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6570 0.1475 -0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5444 -2.0394 -0.8959 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1219 -0.3382 0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0773 1.7834 0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3282 -3.4421 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9212 -2.1137 0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6298 -3.8158 -0.4062 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