5-ethenyl-5-methyloxolan-2-one

C7H9O2+ — CID 58813170

IUPAC5-ethenyl-5-methyloxolan-2-one
SMILESC=[C+]C1(C)CCC(=O)O1
InChIInChI=1S/C7H9O2/c1-3-7(2)5-4-6(8)9-7/h1,4-5H2,2H3/q+1
InChIKeyCVSPSLXIOMARQS-UHFFFAOYSA-N
MW125.15 g/mol
LogP1.07
Rot. Bonds1

About 5-ethenyl-5-methyloxolan-2-one

5-ethenyl-5-methyloxolan-2-one (PubChem CID 58813170) has the molecular formula C7H9O2+ and a molecular weight of 125.15 g/mol. Its IUPAC name is 5-ethenyl-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-ethenyl-5-methyloxolan-2-one
PubChem CID58813170
Molecular FormulaC7H9O2+
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name5-ethenyl-5-methyloxolan-2-one
SMILESC=[C+]C1(C)CCC(=O)O1
InChIInChI=1S/C7H9O2/c1-3-7(2)5-4-6(8)9-7/h1,4-5H2,2H3/q+1
InChIKeyCVSPSLXIOMARQS-UHFFFAOYSA-N
XLogP1.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-5-methyloxolan-2-one?
The IUPAC name of 5-ethenyl-5-methyloxolan-2-one (CID 58813170) is 5-ethenyl-5-methyloxolan-2-one.
What is the SMILES notation for 5-ethenyl-5-methyloxolan-2-one?
The canonical SMILES for 5-ethenyl-5-methyloxolan-2-one is C=[C+]C1(C)CCC(=O)O1.
What is the InChIKey of 5-ethenyl-5-methyloxolan-2-one?
The InChIKey is CVSPSLXIOMARQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O2/c1-3-7(2)5-4-6(8)9-7/h1,4-5H2,2H3/q+1.
What are the key properties of 5-ethenyl-5-methyloxolan-2-one?
5-ethenyl-5-methyloxolan-2-one has a molecular weight of 125.15 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-5-methyloxolan-2-one is sourced from PubChem (CID 58813170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).