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
-1.8228 0.4212 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0824 -0.0834 0.7156 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2333 -0.2861 0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0102 -0.0178 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3061 -0.2358 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9961 -0.4610 -1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2495 1.1603 -1.0495 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8139 0.7682 -0.1603 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6381 -0.2942 1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7310 -0.6559 1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5855 0.3539 -1.4173 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9652 -0.0633 -1.3021 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7717 -0.6060 0.4367 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