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
-1.7657 0.2253 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1538 0.3406 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1415 0.1277 -0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0643 -0.2316 0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3371 -0.4347 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0914 0.5566 1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0874 -0.8480 0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6993 0.8225 0.8195 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8033 0.6085 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5205 0.2317 -1.8036 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7200 -0.3412 1.2552 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7841 -0.3494 -0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0334 -0.7080 0.8010 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