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
2.2580 -0.2976 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9458 0.3599 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1891 -0.1727 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4544 0.5208 -0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5608 -0.0763 0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8646 -0.2091 -0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8156 0.1667 0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0971 -1.3527 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9384 1.3134 -0.6522 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1398 -1.1373 0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4904 1.4829 -0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5170 0.4213 0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5680 -1.0193 0.8713 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