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
-1.6426 -0.7060 0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2433 0.3855 -0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0264 0.6812 -0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0522 -0.0392 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3109 0.2615 -0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7419 -0.6374 0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3433 -1.7019 0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1654 -0.5898 1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9704 0.9473 -1.0711 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3072 1.4725 -1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7690 -0.8467 0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5787 1.0598 -0.7336 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0624 -0.2867 0.4964 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