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
-2.2247 -0.3891 -0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0001 0.0320 0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2139 -0.0737 -0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3957 0.3619 0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6125 0.2554 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0928 -0.6377 -1.4614 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9397 0.4850 -0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7465 -1.2083 0.1624 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0954 0.4709 1.2724 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3237 -0.5015 -1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2854 0.7968 1.4938 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4668 0.5783 0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8013 -0.1699 -0.9885 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