2-(4-oxopentyl)-2,3-dihydropyran-6-one

C10H14O3 — CID 85185627

IUPAC2-(4-oxopentyl)-2,3-dihydropyran-6-one
SMILESCC(=O)CCCC1CC=CC(=O)O1
InChIInChI=1S/C10H14O3/c1-8(11)4-2-5-9-6-3-7-10(12)13-9/h3,7,9H,2,4-6H2,1H3
InChIKeyRDIMUEDTLDIZEW-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.62
Rot. Bonds4

About 2-(4-oxopentyl)-2,3-dihydropyran-6-one

2-(4-oxopentyl)-2,3-dihydropyran-6-one (PubChem CID 85185627) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(4-oxopentyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(4-oxopentyl)-2,3-dihydropyran-6-one
PubChem CID85185627
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-(4-oxopentyl)-2,3-dihydropyran-6-one
SMILESCC(=O)CCCC1CC=CC(=O)O1
InChIInChI=1S/C10H14O3/c1-8(11)4-2-5-9-6-3-7-10(12)13-9/h3,7,9H,2,4-6H2,1H3
InChIKeyRDIMUEDTLDIZEW-UHFFFAOYSA-N
XLogP1.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopentyl)-2,3-dihydropyran-6-one?
The IUPAC name of 2-(4-oxopentyl)-2,3-dihydropyran-6-one (CID 85185627) is 2-(4-oxopentyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(4-oxopentyl)-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(4-oxopentyl)-2,3-dihydropyran-6-one is CC(=O)CCCC1CC=CC(=O)O1.
What is the InChIKey of 2-(4-oxopentyl)-2,3-dihydropyran-6-one?
The InChIKey is RDIMUEDTLDIZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-8(11)4-2-5-9-6-3-7-10(12)13-9/h3,7,9H,2,4-6H2,1H3.
What are the key properties of 2-(4-oxopentyl)-2,3-dihydropyran-6-one?
2-(4-oxopentyl)-2,3-dihydropyran-6-one has a molecular weight of 182.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopentyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 85185627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).