(5S)-5-ethyloxolan-2-one

C6H10O2 — CID 5325911

IUPAC(5S)-5-ethyloxolan-2-one
SMILESCC[C@H]1CCC(=O)O1
InChIInChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyJBFHTYHTHYHCDJ-YFKPBYRVSA-N
MW114.14 g/mol
LogP1.10
Rot. Bonds1

About (5S)-5-ethyloxolan-2-one

(5S)-5-ethyloxolan-2-one (PubChem CID 5325911) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (5S)-5-ethyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-ethyloxolan-2-one
PubChem CID5325911
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(5S)-5-ethyloxolan-2-one
SMILESCC[C@H]1CCC(=O)O1
InChIInChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyJBFHTYHTHYHCDJ-YFKPBYRVSA-N
XLogP1.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyloxolan-2-one?
The IUPAC name of (5S)-5-ethyloxolan-2-one (CID 5325911) is (5S)-5-ethyloxolan-2-one.
What is the SMILES notation for (5S)-5-ethyloxolan-2-one?
The canonical SMILES for (5S)-5-ethyloxolan-2-one is CC[C@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-ethyloxolan-2-one?
The InChIKey is JBFHTYHTHYHCDJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (5S)-5-ethyloxolan-2-one?
(5S)-5-ethyloxolan-2-one has a molecular weight of 114.14 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyloxolan-2-one is sourced from PubChem (CID 5325911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).