(5S)-5-ethenyl-5-methyloxolan-2-one

C7H10O2 — CID 11344024

IUPAC(5S)-5-ethenyl-5-methyloxolan-2-one
SMILESC=C[C@]1(C)CCC(=O)O1
InChIInChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3/t7-/m1/s1
InChIKeyQESPSAHXYXIGBG-SSDOTTSWSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds1

About (5S)-5-ethenyl-5-methyloxolan-2-one

(5S)-5-ethenyl-5-methyloxolan-2-one (PubChem CID 11344024) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (5S)-5-ethenyl-5-methyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-ethenyl-5-methyloxolan-2-one
PubChem CID11344024
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(5S)-5-ethenyl-5-methyloxolan-2-one
SMILESC=C[C@]1(C)CCC(=O)O1
InChIInChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3/t7-/m1/s1
InChIKeyQESPSAHXYXIGBG-SSDOTTSWSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethenyl-5-methyloxolan-2-one?
The IUPAC name of (5S)-5-ethenyl-5-methyloxolan-2-one (CID 11344024) is (5S)-5-ethenyl-5-methyloxolan-2-one.
What is the SMILES notation for (5S)-5-ethenyl-5-methyloxolan-2-one?
The canonical SMILES for (5S)-5-ethenyl-5-methyloxolan-2-one is C=C[C@]1(C)CCC(=O)O1.
What is the InChIKey of (5S)-5-ethenyl-5-methyloxolan-2-one?
The InChIKey is QESPSAHXYXIGBG-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3/t7-/m1/s1.
What are the key properties of (5S)-5-ethenyl-5-methyloxolan-2-one?
(5S)-5-ethenyl-5-methyloxolan-2-one has a molecular weight of 126.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethenyl-5-methyloxolan-2-one is sourced from PubChem (CID 11344024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).