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
-1.1354 1.5533 -1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0921 1.0426 -0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0188 -0.2431 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9820 -0.7982 0.9013 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9991 -2.0774 1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8121 1.6057 -2.2395 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4948 2.5620 -0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0486 0.9105 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6576 1.6895 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7577 -0.8969 -0.4326 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7126 -0.1384 1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2709 -2.7199 0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7375 -2.4896 1.8069 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