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
   -1.5320    0.2039    1.6266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2006   -0.0675    1.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2176   -0.0116   -0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6868    0.0513   -1.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9950   -0.2780   -1.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1836   -0.7110    1.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4712    0.6360    2.6299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0768    0.9847    1.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5427   -0.3853    1.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0963    0.3706   -0.5637 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1203    0.3455   -2.3451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3526   -0.2312   -2.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6454   -0.5677   -0.8734 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