Monomers
cis-1,3-Pentadiene
Identifiers
IUPAC name
(3Z)-penta-1,3-diene
InchI
InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-
InchI Key
PMJHHCWVYXUKFD-PLNGDYQASA-N
SMILES
C/C=C\C=C
Canonical SMILES
CC=CC=C
Isomeric SMILES
C/C=C\C=C
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
2.1781 0.2780 -0.7136 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0200 0.0132 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2082 0.0222 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3141 -0.2457 0.5917 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5761 -0.2534 0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0952 0.4128 -0.1445 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0090 1.2247 -1.2856 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3506 -0.5287 -1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1980 -0.1901 1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4226 0.2222 -1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1151 -0.4497 1.6466 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8081 -0.0561 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4066 -0.4494 0.8426 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