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
Resources
cid=

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
   -2.0877   -0.1980   -0.9497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6148   -0.1538   -0.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0412    0.0374    0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4807    0.0696    0.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1817    0.2598    1.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5233    0.4840   -0.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4418    0.2231   -1.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4948   -1.2233   -0.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0656   -0.2888   -1.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4748    0.1794    1.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0390   -0.0681   -0.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6984    0.3998    2.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2619    0.2789    1.3810 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