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
-2.2427 0.2608 0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9233 0.1062 -0.6021 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1469 -0.0225 0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4615 -0.1767 -0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5403 -0.3063 0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0744 0.8083 1.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7289 -0.7251 0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9360 0.8771 -0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8062 0.0950 -1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0277 -0.0110 1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5800 -0.1881 -1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4331 -0.2963 1.3769 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5220 -0.4215 -0.1522 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