(2S)-2-methylpentan-1-ol

C6H14O — CID 6999993

IUPAC(2S)-2-methylpentan-1-ol
SMILESCCC[C@H](C)CO
InChIInChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyPFNHSEQQEPMLNI-LURJTMIESA-N
MW102.18 g/mol
LogP1.41
Rot. Bonds3

About (2S)-2-methylpentan-1-ol

(2S)-2-methylpentan-1-ol (PubChem CID 6999993) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is (2S)-2-methylpentan-1-ol.

Molecular Properties

Compound Name(2S)-2-methylpentan-1-ol
PubChem CID6999993
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Name(2S)-2-methylpentan-1-ol
SMILESCCC[C@H](C)CO
InChIInChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyPFNHSEQQEPMLNI-LURJTMIESA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-methylpentan-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 (2S)-2-methylpentan-1-ol?
The IUPAC name of (2S)-2-methylpentan-1-ol (CID 6999993) is (2S)-2-methylpentan-1-ol.
What is the SMILES notation for (2S)-2-methylpentan-1-ol?
The canonical SMILES for (2S)-2-methylpentan-1-ol is CCC[C@H](C)CO.
What is the InChIKey of (2S)-2-methylpentan-1-ol?
The InChIKey is PFNHSEQQEPMLNI-LURJTMIESA-N. The full InChI is InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2-methylpentan-1-ol?
(2S)-2-methylpentan-1-ol has a molecular weight of 102.18 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylpentan-1-ol is sourced from PubChem (CID 6999993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).