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
-1.5230 -0.3351 1.7044 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2707 -0.1011 0.9869 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2981 -0.0301 -0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9208 0.1912 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9680 0.3814 -1.6561 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4839 0.2155 2.6586 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6753 -1.4111 1.9501 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3767 0.0424 1.1044 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6446 0.0146 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2728 -0.1667 -0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2322 0.1823 -2.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9576 0.4701 -1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1772 0.5466 -2.6981 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