3-hydroxy-10-methylundecanal

C12H24O2 — CID 173404452

IUPAC3-hydroxy-10-methylundecanal
SMILESCC(C)CCCCCCC(O)CC=O
InChIInChI=1S/C12H24O2/c1-11(2)7-5-3-4-6-8-12(14)9-10-13/h10-12,14H,3-9H2,1-2H3
InChIKeyOKPAVYKXUUVQIP-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.93
Rot. Bonds9

About 3-hydroxy-10-methylundecanal

3-hydroxy-10-methylundecanal (PubChem CID 173404452) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-hydroxy-10-methylundecanal.

Molecular Properties

Compound Name3-hydroxy-10-methylundecanal
PubChem CID173404452
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-hydroxy-10-methylundecanal
SMILESCC(C)CCCCCCC(O)CC=O
InChIInChI=1S/C12H24O2/c1-11(2)7-5-3-4-6-8-12(14)9-10-13/h10-12,14H,3-9H2,1-2H3
InChIKeyOKPAVYKXUUVQIP-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hydroxy-10-methylundecanal 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 3-hydroxy-10-methylundecanal?
The IUPAC name of 3-hydroxy-10-methylundecanal (CID 173404452) is 3-hydroxy-10-methylundecanal.
What is the SMILES notation for 3-hydroxy-10-methylundecanal?
The canonical SMILES for 3-hydroxy-10-methylundecanal is CC(C)CCCCCCC(O)CC=O.
What is the InChIKey of 3-hydroxy-10-methylundecanal?
The InChIKey is OKPAVYKXUUVQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-11(2)7-5-3-4-6-8-12(14)9-10-13/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 3-hydroxy-10-methylundecanal?
3-hydroxy-10-methylundecanal has a molecular weight of 200.32 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-10-methylundecanal is sourced from PubChem (CID 173404452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).