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
-3.6419 -0.2762 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8413 0.1891 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3841 0.1640 -0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6175 0.6785 -1.3756 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7531 0.6491 -1.3071 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4365 0.1104 -0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6640 -0.3912 0.7954 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7249 -0.3700 0.7434 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8756 0.1035 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5911 -0.3796 0.7909 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3099 -0.7312 1.4561 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7373 -0.2283 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2953 0.6223 -1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1464 1.0931 -2.2174 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3693 1.0437 -2.1008 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1147 -0.8335 1.6924 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3049 -0.7871 1.5827 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4215 0.5263 -1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1069 -0.8054 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6709 -0.3773 0.7934 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