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
2.2382 -0.2926 -0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8780 -0.2562 0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1680 0.0815 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4739 0.1035 0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5199 0.4335 -0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9965 0.0931 0.6354 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3279 0.3707 -0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -1.3462 -0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7897 -0.5146 1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0198 0.3307 -1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5805 -0.1483 1.4058 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4686 0.7011 -1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5001 0.4438 0.1536 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