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
3.3424 1.4763 0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8114 0.3606 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4045 0.0826 -0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5278 0.9840 0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8265 0.6308 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2961 -0.5794 0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3945 -1.4994 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9256 -1.1501 -0.6056 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6872 -0.9722 0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6156 -0.1999 0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7451 2.2460 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4249 1.6469 0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4592 -0.3893 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8264 1.9574 0.7689 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5005 1.3749 0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7694 -2.4534 -0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6314 -1.8576 -1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9839 -1.9294 -0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3688 0.7689 0.9471 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6561 -0.4977 0.6092 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