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
-2.1596 0.6191 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0466 -0.3329 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1899 0.1237 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3491 -0.7366 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5432 -0.2437 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9104 0.2551 -0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5732 0.7330 1.1793 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8318 1.6129 -0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2091 -1.3868 0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3440 1.1936 -0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2211 -1.7866 0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4323 -0.8693 -0.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6508 0.8184 -0.3605 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