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
-2.2372 0.1736 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9855 -0.4087 -0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1678 0.0928 0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4559 -0.3924 -0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5304 0.2019 0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7568 0.8021 -0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8498 -0.6558 0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0207 0.8286 1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0162 -1.2244 -1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1473 0.9128 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5469 -1.2268 -1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5421 -0.1195 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4757 1.0160 0.8230 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