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
-2.2480 0.0188 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9822 -0.2821 0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1990 0.1301 -0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4321 -0.1889 0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6135 0.2038 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2418 1.0328 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0515 0.0787 0.4023 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4892 -0.7787 -1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0116 -0.8863 1.2175 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2331 0.7281 -0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3366 -0.8001 1.5078 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4940 -0.0646 0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7160 0.8085 -0.6698 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