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
-2.2187 0.3499 0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0194 -0.3112 -0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1672 0.1132 0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3835 -0.4781 -0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5478 -0.0627 0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1098 0.2591 -0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9653 1.4338 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4005 -0.1246 1.3901 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0643 -1.0878 -0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2480 0.9091 1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3312 -1.2604 -0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6089 0.7260 0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4914 -0.4661 -0.1535 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