(2R)-2-methylbutan-1-ol

C5H12O — CID 637572

IUPAC(2R)-2-methylbutan-1-ol
SMILESCC[C@@H](C)CO
InChIInChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyQPRQEDXDYOZYLA-RXMQYKEDSA-N
MW88.15 g/mol
LogP1.02
Rot. Bonds2

About (2R)-2-methylbutan-1-ol

(2R)-2-methylbutan-1-ol (PubChem CID 637572) has the molecular formula C5H12O and a molecular weight of 88.15 g/mol. Its IUPAC name is (2R)-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-methylbutan-1-ol
PubChem CID637572
Molecular FormulaC5H12O
Molecular Weight88.15 g/mol
Exact Mass88.09
IUPAC Name(2R)-2-methylbutan-1-ol
SMILESCC[C@@H](C)CO
InChIInChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyQPRQEDXDYOZYLA-RXMQYKEDSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-2-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylbutan-1-ol?
The IUPAC name of (2R)-2-methylbutan-1-ol (CID 637572) is (2R)-2-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-methylbutan-1-ol?
The canonical SMILES for (2R)-2-methylbutan-1-ol is CC[C@@H](C)CO.
What is the InChIKey of (2R)-2-methylbutan-1-ol?
The InChIKey is QPRQEDXDYOZYLA-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of (2R)-2-methylbutan-1-ol?
(2R)-2-methylbutan-1-ol has a molecular weight of 88.15 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylbutan-1-ol is sourced from PubChem (CID 637572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).