Monomers
1,3-Pentadiene
Identifiers
IUPAC name
(3E)-penta-1,3-diene
InchI
InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+
InchI Key
PMJHHCWVYXUKFD-SNAWJCMRSA-N
SMILES
C/C=C/C=C
Canonical SMILES
CC=CC=C
Isomeric SMILES
C/C=C/C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8
Heavy Atom Count
5
Molecular Weight
68.119
Exact Molecular Weight
68.0626
Valence Electrons
28
Radical Electrons
0
tPSA
0.0
MolLogP
1.7485
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
13 12 0 0 0 0 0 0 0 0999 V2000
2.2799 -0.1526 -0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9016 0.3940 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2203 0.0379 -0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5704 -0.3907 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6268 0.4041 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3659 -1.2326 -0.4918 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8251 0.3325 -1.1774 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7919 0.0764 0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9616 1.5230 -0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2719 -1.1394 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8311 -1.3886 0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5145 1.4243 -0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6348 0.1117 0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 2 3
1 6 1 0
1 7 1 0
1 8 1 0
2 9 1 0
3 10 1 0
4 11 1 0
5 12 1 0
5 13 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers