5-hydroxy-6-methoxy-5-methylhexan-2-one

C8H16O3 — CID 91393001

IUPAC5-hydroxy-6-methoxy-5-methylhexan-2-one
SMILESCOCC(C)(O)CCC(C)=O
InChIInChI=1S/C8H16O3/c1-7(9)4-5-8(2,10)6-11-3/h10H,4-6H2,1-3H3
InChIKeyXQUAJIRDYGKJBE-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.75
Rot. Bonds5

About 5-hydroxy-6-methoxy-5-methylhexan-2-one

5-hydroxy-6-methoxy-5-methylhexan-2-one (PubChem CID 91393001) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 5-hydroxy-6-methoxy-5-methylhexan-2-one.

Molecular Properties

Compound Name5-hydroxy-6-methoxy-5-methylhexan-2-one
PubChem CID91393001
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name5-hydroxy-6-methoxy-5-methylhexan-2-one
SMILESCOCC(C)(O)CCC(C)=O
InChIInChI=1S/C8H16O3/c1-7(9)4-5-8(2,10)6-11-3/h10H,4-6H2,1-3H3
InChIKeyXQUAJIRDYGKJBE-UHFFFAOYSA-N
XLogP0.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methoxy-5-methylhexan-2-one?
The IUPAC name of 5-hydroxy-6-methoxy-5-methylhexan-2-one (CID 91393001) is 5-hydroxy-6-methoxy-5-methylhexan-2-one.
What is the SMILES notation for 5-hydroxy-6-methoxy-5-methylhexan-2-one?
The canonical SMILES for 5-hydroxy-6-methoxy-5-methylhexan-2-one is COCC(C)(O)CCC(C)=O.
What is the InChIKey of 5-hydroxy-6-methoxy-5-methylhexan-2-one?
The InChIKey is XQUAJIRDYGKJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(9)4-5-8(2,10)6-11-3/h10H,4-6H2,1-3H3.
What are the key properties of 5-hydroxy-6-methoxy-5-methylhexan-2-one?
5-hydroxy-6-methoxy-5-methylhexan-2-one has a molecular weight of 160.21 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methoxy-5-methylhexan-2-one is sourced from PubChem (CID 91393001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).