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
-2.2715 -0.0873 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9252 0.4128 0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1441 -0.1633 -0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4967 0.3128 0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5656 -0.2597 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9049 -0.2179 0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1900 -1.0595 -0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7019 0.6598 -0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8879 1.2544 1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0611 -0.9999 -0.8341 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6169 1.1500 0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5374 0.0838 -0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4595 -1.0862 -0.9501 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