(3S,5S)-5-ethenyl-3-methyloxolan-2-one

C7H10O2 — CID 129392322

IUPAC(3S,5S)-5-ethenyl-3-methyloxolan-2-one
SMILESC=C[C@@H]1C[C@H](C)C(=O)O1
InChIInChI=1S/C7H10O2/c1-3-6-4-5(2)7(8)9-6/h3,5-6H,1,4H2,2H3/t5-,6+/m0/s1
InChIKeyQWIPYNUIFLSAGG-NTSWFWBYSA-N
MW126.15 g/mol
LogP1.12
Rot. Bonds1

About (3S,5S)-5-ethenyl-3-methyloxolan-2-one

(3S,5S)-5-ethenyl-3-methyloxolan-2-one (PubChem CID 129392322) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (3S,5S)-5-ethenyl-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-5-ethenyl-3-methyloxolan-2-one
PubChem CID129392322
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(3S,5S)-5-ethenyl-3-methyloxolan-2-one
SMILESC=C[C@@H]1C[C@H](C)C(=O)O1
InChIInChI=1S/C7H10O2/c1-3-6-4-5(2)7(8)9-6/h3,5-6H,1,4H2,2H3/t5-,6+/m0/s1
InChIKeyQWIPYNUIFLSAGG-NTSWFWBYSA-N
XLogP1.12
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 ≤ 51.12
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 (3S,5S)-5-ethenyl-3-methyloxolan-2-one?
The IUPAC name of (3S,5S)-5-ethenyl-3-methyloxolan-2-one (CID 129392322) is (3S,5S)-5-ethenyl-3-methyloxolan-2-one.
What is the SMILES notation for (3S,5S)-5-ethenyl-3-methyloxolan-2-one?
The canonical SMILES for (3S,5S)-5-ethenyl-3-methyloxolan-2-one is C=C[C@@H]1C[C@H](C)C(=O)O1.
What is the InChIKey of (3S,5S)-5-ethenyl-3-methyloxolan-2-one?
The InChIKey is QWIPYNUIFLSAGG-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-6-4-5(2)7(8)9-6/h3,5-6H,1,4H2,2H3/t5-,6+/m0/s1.
What are the key properties of (3S,5S)-5-ethenyl-3-methyloxolan-2-one?
(3S,5S)-5-ethenyl-3-methyloxolan-2-one has a molecular weight of 126.15 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-ethenyl-3-methyloxolan-2-one is sourced from PubChem (CID 129392322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).