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
    2.1942   -0.2762    0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7702   -0.0612    0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1321    0.0035   -0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5430    0.2089   -0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3727    0.2596   -1.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3043   -0.8347   -0.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7237    0.7051    0.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6850   -0.8167    1.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100    0.0393    1.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093   -0.1082   -1.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9095    0.3209    0.9262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4442    0.4142   -0.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9952    0.1456   -2.0706 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