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
-2.2941 0.2272 -2.8115 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3101 -0.5101 -2.3538 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6690 -0.2183 -1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3696 -1.0428 -0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0172 -0.8094 0.5575 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6424 0.2352 1.3494 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3865 1.0810 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0102 0.8089 -0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2946 0.4992 2.6053 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2800 -0.2302 3.0756 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7369 -0.0258 -3.7575 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6558 1.0621 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9402 -1.3743 -2.9246 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6669 -1.8720 -1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8175 -1.4763 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7048 1.9172 1.5728 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8111 1.4794 -0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9923 1.3462 3.2496 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6785 -1.0854 2.5569 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7597 -0.0118 4.0300 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