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
    1.0240    1.5364   -1.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0747    0.9523   -0.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0808   -0.2315    0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9603   -0.8268    0.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7548   -1.9911    1.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3044    2.5043   -0.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    1.8053   -2.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8921    0.8657   -1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0303    1.4744   -0.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0082   -0.7652   -0.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8988   -0.3365    1.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4979   -2.4639    2.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1947   -2.5234    1.2864 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