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
-2.2515 0.0031 0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9039 -0.5697 0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1457 0.2098 0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4834 -0.3579 0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5383 0.4260 0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2172 0.9068 -0.4519 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9750 -0.6945 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6138 0.2737 1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7891 -1.6274 0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0184 1.2990 0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6144 -1.4151 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5496 0.0613 0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4008 1.4848 0.4471 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