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
3.7768 -0.0996 0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7684 0.7287 0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3821 0.3236 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4159 1.2966 -0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9302 0.9436 -0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3684 -0.3538 -0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3838 -1.3236 0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9530 -0.9692 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7761 -0.7286 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7595 0.1275 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8078 0.2387 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5821 -1.1545 0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0315 1.7873 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7010 2.3457 -0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6950 1.7209 -0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7316 -2.3410 0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6884 -1.7535 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0335 -1.7707 0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8099 -0.2131 -0.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6191 1.1951 -0.4083 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