2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as cyclopentanols. These are compounds containing a cyclopentane ring that carries an alcohol group.

Cyclopentanols

Organic compounds

Organooxygen compounds

Alcohols and polyols

Secondary alcohols

Calculated Property

kind Value Source
logP 1.23 ALOGPS
logS -1.6 ALOGPS
Water Solubility 4.22e+00 g/l ALOGPS
logP 1.29 ChemAxon
IUPAC Name (2R)-2-[(1R,2S)-2-hydroxycyclopentyl]pent-4-enal ChemAxon
Traditional IUPAC Name (2R)-2-[(1R,2S)-2-hydroxycyclopentyl]pent-4-enal ChemAxon
Molecular Weight 168.2328 ChemAxon
Monoisotopic Weight 168.115029756 ChemAxon
SMILES [H][C@](CC=C)(C=O)[C@@]1([H])CCC[C@]1([H])O ChemAxon
Molecular Formula C10H16O2 ChemAxon
InChI InChI=1S/C10H16O2/c1-2-4-8(7-11)9-5-3-6-10(9)12/h2,7-10,12H,1,3-6H2/t8-,9+,10-/m0/s1 ChemAxon
InChIKey InChIKey=NEWBFDLFXDTFGD-AEJSXWLSSA-N ChemAxon
Polar Surface Area (PSA) 37.3 ChemAxon
Refractivity 48.31 ChemAxon
Polarizability 19.16 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 14.82 ChemAxon
pKa (strongest basic) -2.8 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Chymotrypsin-like elastase family member 2A : in Human