2-butoxy-6-methyl-2H-pyran-5-one

C10H16O3 — CID 21397324

IUPAC2-butoxy-6-methyl-2H-pyran-5-one
SMILESCCCCOC1C=CC(=O)C(C)O1
InChIInChI=1S/C10H16O3/c1-3-4-7-12-10-6-5-9(11)8(2)13-10/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyNYXUJEINQSITPQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.67
Rot. Bonds4

About 2-butoxy-6-methyl-2H-pyran-5-one

2-butoxy-6-methyl-2H-pyran-5-one (PubChem CID 21397324) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-butoxy-6-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name2-butoxy-6-methyl-2H-pyran-5-one
PubChem CID21397324
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name2-butoxy-6-methyl-2H-pyran-5-one
SMILESCCCCOC1C=CC(=O)C(C)O1
InChIInChI=1S/C10H16O3/c1-3-4-7-12-10-6-5-9(11)8(2)13-10/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyNYXUJEINQSITPQ-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
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-butoxy-6-methyl-2H-pyran-5-one?
The IUPAC name of 2-butoxy-6-methyl-2H-pyran-5-one (CID 21397324) is 2-butoxy-6-methyl-2H-pyran-5-one.
What is the SMILES notation for 2-butoxy-6-methyl-2H-pyran-5-one?
The canonical SMILES for 2-butoxy-6-methyl-2H-pyran-5-one is CCCCOC1C=CC(=O)C(C)O1.
What is the InChIKey of 2-butoxy-6-methyl-2H-pyran-5-one?
The InChIKey is NYXUJEINQSITPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-4-7-12-10-6-5-9(11)8(2)13-10/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of 2-butoxy-6-methyl-2H-pyran-5-one?
2-butoxy-6-methyl-2H-pyran-5-one has a molecular weight of 184.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-6-methyl-2H-pyran-5-one is sourced from PubChem (CID 21397324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).