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
3.5597 -0.7594 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3325 -1.0080 -0.5699 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1760 -0.2677 -0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3100 0.7648 0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1516 1.4022 1.2418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1052 1.0522 0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2105 0.0091 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0566 -0.6395 -0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5002 -0.4059 -0.6173 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6367 0.1386 -0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3841 -1.3577 -0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8157 0.0285 0.4915 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1787 -1.8257 -1.2887 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2832 1.0643 1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2075 2.2216 1.9507 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9933 1.5804 1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1693 -1.4673 -1.2552 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4902 -1.2462 -1.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6789 0.9466 0.4046 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5580 -0.2307 -0.7071 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