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
-2.1924 0.4677 0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0017 0.0324 -0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1885 0.0150 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3776 -0.4048 -0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5418 -0.4054 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2904 1.5803 0.2543 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0803 -0.0600 -0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0818 0.2526 1.4356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0547 -0.2789 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 0.3272 1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2816 -0.7075 -1.5892 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4069 -0.7140 -0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6374 -0.1046 1.0807 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