Monomers

cis-Pent-2-enoic acid

Identifiers

IUPAC name
(Z)-pent-2-enoic acid
InchI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3-
InchI Key
YIYBQIKDCADOSF-ARJAWSKDSA-N
SMILES
CC/C=C\C(=O)O
Canonical SMILES
CCC=CC(=O)O
Isomeric SMILES
CC/C=C\C(=O)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
37.3
MolLogP
1.0372
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.3766    0.2752   -0.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3120    0.0266    0.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0641   -0.4995    0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0499    0.1719    0.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3274   -0.2823   -0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3605   -1.3665   -0.9148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5132    0.4079   -0.1419 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3692   -0.0251    0.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4210    1.3672   -0.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2098   -0.2969   -1.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1040    0.9373    1.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6972   -0.7588    1.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0597   -1.4253   -0.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0702    1.1123    0.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2925    0.3561   -0.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  4 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers