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
3.4584 0.0889 0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2704 0.6100 0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0537 -0.0823 0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0797 -1.3765 -0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1102 -2.0211 -0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2758 -1.3451 -0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3540 -0.0243 -0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1761 0.5672 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6414 0.6358 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7755 1.8613 0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3454 0.6669 0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6272 -0.9123 0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1862 1.6407 0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0186 -1.9190 -0.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0677 -3.0392 -0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2084 -1.8334 -0.7624 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1590 1.5809 0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5353 0.0784 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9706 2.4890 0.7697 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7658 2.3341 0.5074 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