Monomers
1,3-Divinylbenzene
Identifiers
IUPAC name
1,3-bis(ethenyl)benzene
InchI
InChI=1S/C10H10/c1-3-9-6-5-7-10(4-2)8-9/h3-8H,1-2H2
InchI Key
PRJNEUBECVAVAG-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C=C
Canonical SMILES
C=CC1=CC(=CC=C1)C=C
Isomeric SMILES
C=CC1=CC(=CC=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
-2.8967 -1.5179 -0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6921 -0.3613 -0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3580 0.1309 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2197 1.3926 0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0031 1.9191 0.9105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1682 1.2308 0.6523 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0579 -0.0034 0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1909 -0.5434 -0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2391 -0.7774 -0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4720 -0.4120 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0522 -2.1409 -1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9025 -1.8912 -1.1258 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5625 0.2436 -0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1501 1.9368 0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0768 2.8916 1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1202 1.6905 0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2441 -1.5286 -0.7394 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1142 -1.7600 -0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6879 0.5273 0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3296 -1.0268 -0.2335 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
7 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
6 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