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
-1.7708 0.3687 -1.4483 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4161 0.5869 -0.8799 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0191 -0.1760 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3366 -0.0081 0.6833 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7618 -0.7764 1.6512 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0774 1.2272 -2.0815 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5223 0.3144 -0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7308 -0.5886 -2.0023 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1954 1.3900 -1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6149 -0.9575 0.4636 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9676 0.7806 0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7337 -0.6141 2.0535 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1182 -1.5470 2.0104 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