5-acetyloxolan-2-one;oxolan-2-one

C10H14O5 — CID 70146816

IUPAC5-acetyloxolan-2-one;oxolan-2-one
SMILESCC(=O)C1CCC(=O)O1.O=C1CCCO1
InChIInChI=1S/C6H8O3.C4H6O2/c1-4(7)5-2-3-6(8)9-5;5-4-2-1-3-6-4/h5H,2-3H2,1H3;1-3H2
InChIKeyWZHDOFMPSOTZRV-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.60
Rot. Bonds1

About 5-acetyloxolan-2-one;oxolan-2-one

5-acetyloxolan-2-one;oxolan-2-one (PubChem CID 70146816) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-acetyloxolan-2-one;oxolan-2-one.

Molecular Properties

Compound Name5-acetyloxolan-2-one;oxolan-2-one
PubChem CID70146816
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name5-acetyloxolan-2-one;oxolan-2-one
SMILESCC(=O)C1CCC(=O)O1.O=C1CCCO1
InChIInChI=1S/C6H8O3.C4H6O2/c1-4(7)5-2-3-6(8)9-5;5-4-2-1-3-6-4/h5H,2-3H2,1H3;1-3H2
InChIKeyWZHDOFMPSOTZRV-UHFFFAOYSA-N
XLogP0.60
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyloxolan-2-one;oxolan-2-one?
The IUPAC name of 5-acetyloxolan-2-one;oxolan-2-one (CID 70146816) is 5-acetyloxolan-2-one;oxolan-2-one.
What is the SMILES notation for 5-acetyloxolan-2-one;oxolan-2-one?
The canonical SMILES for 5-acetyloxolan-2-one;oxolan-2-one is CC(=O)C1CCC(=O)O1.O=C1CCCO1.
What is the InChIKey of 5-acetyloxolan-2-one;oxolan-2-one?
The InChIKey is WZHDOFMPSOTZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3.C4H6O2/c1-4(7)5-2-3-6(8)9-5;5-4-2-1-3-6-4/h5H,2-3H2,1H3;1-3H2.
What are the key properties of 5-acetyloxolan-2-one;oxolan-2-one?
5-acetyloxolan-2-one;oxolan-2-one has a molecular weight of 214.22 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyloxolan-2-one;oxolan-2-one is sourced from PubChem (CID 70146816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).