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
-2.2158 0.3642 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9550 -0.3952 0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1633 0.1827 -0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4177 -0.5480 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5460 0.0158 -0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9839 1.4382 0.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9884 0.0234 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6026 0.1876 -1.0746 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9748 -1.3974 0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1841 1.1911 -0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4353 -1.5758 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5190 1.0386 -0.9552 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4549 -0.5253 -0.4992 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