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
2.0467 0.8477 -0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6486 0.4608 -0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0783 -0.1204 0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4579 -0.4901 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1726 -1.0768 0.9119 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4003 1.5665 -1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7471 -0.0098 -0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1667 1.4161 0.5127 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2057 0.6678 -1.6403 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3532 -0.3319 1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9439 -0.2988 -0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2083 -1.3567 0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7074 -1.2743 1.8686 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