Isoamyl Alcohol

C5H12O — CID 31260

IUPAC3-methylbutan-1-ol
SMILESCC(C)CCO
InChIInChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyPHTQWCKDNZKARW-UHFFFAOYSA-N
MW88.15 g/mol
LogP1.20
Rot. Bonds2

About Isoamyl Alcohol

Isoamyl Alcohol (PubChem CID 31260) has the molecular formula C5H12O and a molecular weight of 88.15 g/mol. Its IUPAC name is 3-methylbutan-1-ol.

Molecular Properties

Compound NameIsoamyl Alcohol
PubChem CID31260
Molecular FormulaC5H12O
Molecular Weight88.15 g/mol
Exact Mass88.09
IUPAC Name3-methylbutan-1-ol
SMILESCC(C)CCO
InChIInChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyPHTQWCKDNZKARW-UHFFFAOYSA-N
XLogP1.20
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity25

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of Isoamyl Alcohol?
The IUPAC name of Isoamyl Alcohol (CID 31260) is 3-methylbutan-1-ol.
What is the SMILES notation for Isoamyl Alcohol?
The canonical SMILES for Isoamyl Alcohol is CC(C)CCO.
What is the InChIKey of Isoamyl Alcohol?
The InChIKey is PHTQWCKDNZKARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3.
What are the key properties of Isoamyl Alcohol?
Isoamyl Alcohol has a molecular weight of 88.15 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Isoamyl Alcohol is sourced from PubChem (CID 31260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).