1-Proponol

Status : experimental

Description

A colorless liquid made by oxidation of aliphatic hydrocarbons that is used as a solvent and chemical intermediate. [PubChem]

Chemical Classification

This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).

Primary alcohols

Organic compounds

Organooxygen compounds

Alcohols and polyols

Primary alcohols

Calculated Property

kind Value Source
logP 0.21 ALOGPS
logS 0.81 ALOGPS
Water Solubility 3.91e+02 g/l ALOGPS
logP 0.36 ChemAxon
IUPAC Name propan-1-ol ChemAxon
Traditional IUPAC Name propanol ChemAxon
Molecular Weight 60.095 ChemAxon
Monoisotopic Weight 60.057514878 ChemAxon
SMILES CCCO ChemAxon
Molecular Formula C3H8O ChemAxon
InChI InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3 ChemAxon
InChIKey InChIKey=BDERNNFJNOPAEC-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 20.23 ChemAxon
Refractivity 17.53 ChemAxon
Polarizability 7.23 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 16.85 ChemAxon
pKa (strongest basic) -2 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Lysozyme C : in Human