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
-3.6435 0.2569 -0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4397 0.6930 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2101 0.1066 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2186 -1.0082 0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0237 -1.5336 1.1649 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1885 -0.9348 0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2340 0.1815 0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0059 0.6688 -0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4745 0.8467 -0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6518 0.4382 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5241 0.7332 -0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8072 -0.6029 0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3421 1.5805 -1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1661 -1.4622 0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0266 -2.4076 1.8005 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0988 -1.3567 1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0253 1.5410 -1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3981 1.7232 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5631 0.9527 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7618 -0.4162 0.6705 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