6-hydroxy-4-methylhexanal

C7H14O2 — CID 23424372

IUPAC6-hydroxy-4-methylhexanal
SMILESCC(CCO)CCC=O
InChIInChI=1S/C7H14O2/c1-7(4-6-9)3-2-5-8/h5,7,9H,2-4,6H2,1H3
InChIKeyUBEQHGSYADUQGL-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.98
Rot. Bonds5

About 6-hydroxy-4-methylhexanal

6-hydroxy-4-methylhexanal (PubChem CID 23424372) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 6-hydroxy-4-methylhexanal.

Molecular Properties

Compound Name6-hydroxy-4-methylhexanal
PubChem CID23424372
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name6-hydroxy-4-methylhexanal
SMILESCC(CCO)CCC=O
InChIInChI=1S/C7H14O2/c1-7(4-6-9)3-2-5-8/h5,7,9H,2-4,6H2,1H3
InChIKeyUBEQHGSYADUQGL-UHFFFAOYSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-hydroxy-4-methylhexanal 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 6-hydroxy-4-methylhexanal?
The IUPAC name of 6-hydroxy-4-methylhexanal (CID 23424372) is 6-hydroxy-4-methylhexanal.
What is the SMILES notation for 6-hydroxy-4-methylhexanal?
The canonical SMILES for 6-hydroxy-4-methylhexanal is CC(CCO)CCC=O.
What is the InChIKey of 6-hydroxy-4-methylhexanal?
The InChIKey is UBEQHGSYADUQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(4-6-9)3-2-5-8/h5,7,9H,2-4,6H2,1H3.
What are the key properties of 6-hydroxy-4-methylhexanal?
6-hydroxy-4-methylhexanal has a molecular weight of 130.19 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methylhexanal is sourced from PubChem (CID 23424372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).