6-hydroxy-5-methylnonan-2-one

C10H20O2 — CID 58027509

IUPAC6-hydroxy-5-methylnonan-2-one
SMILESCCCC(O)C(C)CCC(C)=O
InChIInChI=1S/C10H20O2/c1-4-5-10(12)8(2)6-7-9(3)11/h8,10,12H,4-7H2,1-3H3
InChIKeyMAFVHYKXIQGHED-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.15
Rot. Bonds6

About 6-hydroxy-5-methylnonan-2-one

6-hydroxy-5-methylnonan-2-one (PubChem CID 58027509) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 6-hydroxy-5-methylnonan-2-one.

Molecular Properties

Compound Name6-hydroxy-5-methylnonan-2-one
PubChem CID58027509
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name6-hydroxy-5-methylnonan-2-one
SMILESCCCC(O)C(C)CCC(C)=O
InChIInChI=1S/C10H20O2/c1-4-5-10(12)8(2)6-7-9(3)11/h8,10,12H,4-7H2,1-3H3
InChIKeyMAFVHYKXIQGHED-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methylnonan-2-one?
The IUPAC name of 6-hydroxy-5-methylnonan-2-one (CID 58027509) is 6-hydroxy-5-methylnonan-2-one.
What is the SMILES notation for 6-hydroxy-5-methylnonan-2-one?
The canonical SMILES for 6-hydroxy-5-methylnonan-2-one is CCCC(O)C(C)CCC(C)=O.
What is the InChIKey of 6-hydroxy-5-methylnonan-2-one?
The InChIKey is MAFVHYKXIQGHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-10(12)8(2)6-7-9(3)11/h8,10,12H,4-7H2,1-3H3.
What are the key properties of 6-hydroxy-5-methylnonan-2-one?
6-hydroxy-5-methylnonan-2-one has a molecular weight of 172.27 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methylnonan-2-one is sourced from PubChem (CID 58027509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).