(2S,3R)-3-hydroxy-2-methylpentanal

C6H12O2 — CID 10964464

IUPAC(2S,3R)-3-hydroxy-2-methylpentanal
SMILESCC[C@@H](O)[C@H](C)C=O
InChIInChI=1S/C6H12O2/c1-3-6(8)5(2)4-7/h4-6,8H,3H2,1-2H3/t5-,6-/m1/s1
InChIKeyYWUGUGHGGWKGEG-PHDIDXHHSA-N
MW116.16 g/mol
LogP0.59
Rot. Bonds3

About (2S,3R)-3-hydroxy-2-methylpentanal

(2S,3R)-3-hydroxy-2-methylpentanal (PubChem CID 10964464) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-methylpentanal.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-methylpentanal
PubChem CID10964464
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(2S,3R)-3-hydroxy-2-methylpentanal
SMILESCC[C@@H](O)[C@H](C)C=O
InChIInChI=1S/C6H12O2/c1-3-6(8)5(2)4-7/h4-6,8H,3H2,1-2H3/t5-,6-/m1/s1
InChIKeyYWUGUGHGGWKGEG-PHDIDXHHSA-N
XLogP0.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-methylpentanal?
The IUPAC name of (2S,3R)-3-hydroxy-2-methylpentanal (CID 10964464) is (2S,3R)-3-hydroxy-2-methylpentanal.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-methylpentanal?
The canonical SMILES for (2S,3R)-3-hydroxy-2-methylpentanal is CC[C@@H](O)[C@H](C)C=O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-methylpentanal?
The InChIKey is YWUGUGHGGWKGEG-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-6(8)5(2)4-7/h4-6,8H,3H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-methylpentanal?
(2S,3R)-3-hydroxy-2-methylpentanal has a molecular weight of 116.16 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-methylpentanal is sourced from PubChem (CID 10964464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).