2-butyl-4-methoxy-2,3-dihydropyran-6-one

C10H16O3 — CID 15470479

IUPAC2-butyl-4-methoxy-2,3-dihydropyran-6-one
SMILESCCCCC1CC(OC)=CC(=O)O1
InChIInChI=1S/C10H16O3/c1-3-4-5-8-6-9(12-2)7-10(11)13-8/h7-8H,3-6H2,1-2H3
InChIKeyUGXSTAWDVRGMDJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.02
Rot. Bonds4

About 2-butyl-4-methoxy-2,3-dihydropyran-6-one

2-butyl-4-methoxy-2,3-dihydropyran-6-one (PubChem CID 15470479) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-butyl-4-methoxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-butyl-4-methoxy-2,3-dihydropyran-6-one
PubChem CID15470479
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name2-butyl-4-methoxy-2,3-dihydropyran-6-one
SMILESCCCCC1CC(OC)=CC(=O)O1
InChIInChI=1S/C10H16O3/c1-3-4-5-8-6-9(12-2)7-10(11)13-8/h7-8H,3-6H2,1-2H3
InChIKeyUGXSTAWDVRGMDJ-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methoxy-2,3-dihydropyran-6-one?
The IUPAC name of 2-butyl-4-methoxy-2,3-dihydropyran-6-one (CID 15470479) is 2-butyl-4-methoxy-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-butyl-4-methoxy-2,3-dihydropyran-6-one?
The canonical SMILES for 2-butyl-4-methoxy-2,3-dihydropyran-6-one is CCCCC1CC(OC)=CC(=O)O1.
What is the InChIKey of 2-butyl-4-methoxy-2,3-dihydropyran-6-one?
The InChIKey is UGXSTAWDVRGMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-4-5-8-6-9(12-2)7-10(11)13-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-butyl-4-methoxy-2,3-dihydropyran-6-one?
2-butyl-4-methoxy-2,3-dihydropyran-6-one has a molecular weight of 184.24 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methoxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 15470479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).