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
   -1.7038   -0.0150    0.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0632    0.8256   -0.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1858    0.6361   -0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9602   -0.4063   -0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2308   -0.6440   -0.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8148   -1.0704    0.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0678   -0.0354    1.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6751    0.4029    1.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6654    1.5969   -0.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6547    1.2418   -1.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4664   -1.0049    0.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7348   -1.4389    0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7573   -0.0884   -1.0848 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