2-hydroxy-6-methoxy-2-methylhexan-3-one

C8H16O3 — CID 103446023

IUPAC2-hydroxy-6-methoxy-2-methylhexan-3-one
SMILESCOCCCC(=O)C(C)(C)O
InChIInChI=1S/C8H16O3/c1-8(2,10)7(9)5-4-6-11-3/h10H,4-6H2,1-3H3
InChIKeyWPEVOQDFBPZJBT-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.75
Rot. Bonds5

About 2-hydroxy-6-methoxy-2-methylhexan-3-one

2-hydroxy-6-methoxy-2-methylhexan-3-one (PubChem CID 103446023) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-hydroxy-6-methoxy-2-methylhexan-3-one.

Molecular Properties

Compound Name2-hydroxy-6-methoxy-2-methylhexan-3-one
PubChem CID103446023
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-hydroxy-6-methoxy-2-methylhexan-3-one
SMILESCOCCCC(=O)C(C)(C)O
InChIInChI=1S/C8H16O3/c1-8(2,10)7(9)5-4-6-11-3/h10H,4-6H2,1-3H3
InChIKeyWPEVOQDFBPZJBT-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

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 2-hydroxy-6-methoxy-2-methylhexan-3-one?
The IUPAC name of 2-hydroxy-6-methoxy-2-methylhexan-3-one (CID 103446023) is 2-hydroxy-6-methoxy-2-methylhexan-3-one.
What is the SMILES notation for 2-hydroxy-6-methoxy-2-methylhexan-3-one?
The canonical SMILES for 2-hydroxy-6-methoxy-2-methylhexan-3-one is COCCCC(=O)C(C)(C)O.
What is the InChIKey of 2-hydroxy-6-methoxy-2-methylhexan-3-one?
The InChIKey is WPEVOQDFBPZJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(2,10)7(9)5-4-6-11-3/h10H,4-6H2,1-3H3.
What are the key properties of 2-hydroxy-6-methoxy-2-methylhexan-3-one?
2-hydroxy-6-methoxy-2-methylhexan-3-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 2-hydroxy-6-methoxy-2-methylhexan-3-one is sourced from PubChem (CID 103446023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).