1-Hydroxy-3-Methylbutane

Status : experimental

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 1.33 ALOGPS
logS -0.37 ALOGPS
Water Solubility 3.80e+01 g/l ALOGPS
logP 1.09 ChemAxon
IUPAC Name 3-methylbutan-1-ol ChemAxon
Traditional IUPAC Name isoamyl alcohol ChemAxon
Molecular Weight 88.1482 ChemAxon
Monoisotopic Weight 88.088815006 ChemAxon
SMILES CC(C)CCO ChemAxon
Molecular Formula C5H12O ChemAxon
InChI InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 ChemAxon
InChIKey InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 20.23 ChemAxon
Refractivity 26.68 ChemAxon
Polarizability 11.03 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 17.17 ChemAxon
pKa (strongest basic) -1.9 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

  • Renin : in Human