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
-0.7438 -0.8664 -1.5211 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2969 0.0133 -0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5161 0.4725 0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8930 0.1915 0.5791 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5928 0.7046 1.5634 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2509 -0.2907 -2.3481 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0074 -1.5644 -1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5590 -1.4780 -1.9672 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3362 0.2587 -0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9654 1.1279 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3963 -0.4367 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1251 1.3499 2.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 0.5178 1.6848 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