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
1.7156 -0.0388 0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1709 0.3076 -0.7056 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1124 0.2646 -0.9177 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9830 -0.1408 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2895 -0.2076 0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2205 0.5788 1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8138 0.1045 0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4439 -1.1025 0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8358 0.5953 -1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5691 0.5107 -1.8729 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5599 -0.3911 1.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8006 0.0252 -0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8859 -0.5059 0.9047 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