1-hydroxy-6-methylnonan-5-one

C10H20O2 — CID 24975752

IUPAC1-hydroxy-6-methylnonan-5-one
SMILESCCCC(C)C(=O)CCCCO
InChIInChI=1S/C10H20O2/c1-3-6-9(2)10(12)7-4-5-8-11/h9,11H,3-8H2,1-2H3
InChIKeyIRFVJGNIKPUEHM-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.15
Rot. Bonds7

About 1-hydroxy-6-methylnonan-5-one

1-hydroxy-6-methylnonan-5-one (PubChem CID 24975752) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-hydroxy-6-methylnonan-5-one.

Molecular Properties

Compound Name1-hydroxy-6-methylnonan-5-one
PubChem CID24975752
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-hydroxy-6-methylnonan-5-one
SMILESCCCC(C)C(=O)CCCCO
InChIInChI=1S/C10H20O2/c1-3-6-9(2)10(12)7-4-5-8-11/h9,11H,3-8H2,1-2H3
InChIKeyIRFVJGNIKPUEHM-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-methylnonan-5-one?
The IUPAC name of 1-hydroxy-6-methylnonan-5-one (CID 24975752) is 1-hydroxy-6-methylnonan-5-one.
What is the SMILES notation for 1-hydroxy-6-methylnonan-5-one?
The canonical SMILES for 1-hydroxy-6-methylnonan-5-one is CCCC(C)C(=O)CCCCO.
What is the InChIKey of 1-hydroxy-6-methylnonan-5-one?
The InChIKey is IRFVJGNIKPUEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-6-9(2)10(12)7-4-5-8-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-hydroxy-6-methylnonan-5-one?
1-hydroxy-6-methylnonan-5-one has a molecular weight of 172.27 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-methylnonan-5-one is sourced from PubChem (CID 24975752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).