5-ethyl-5-methyloxolan-2-one

C7H12O2 — CID 567124

IUPAC5-ethyl-5-methyloxolan-2-one
SMILESCCC1(C)CCC(=O)O1
InChIInChI=1S/C7H12O2/c1-3-7(2)5-4-6(8)9-7/h3-5H2,1-2H3
InChIKeyMJFDQFVZHVJKFU-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.49
Rot. Bonds1

About 5-ethyl-5-methyloxolan-2-one

5-ethyl-5-methyloxolan-2-one (PubChem CID 567124) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 5-ethyl-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-ethyl-5-methyloxolan-2-one
PubChem CID567124
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name5-ethyl-5-methyloxolan-2-one
SMILESCCC1(C)CCC(=O)O1
InChIInChI=1S/C7H12O2/c1-3-7(2)5-4-6(8)9-7/h3-5H2,1-2H3
InChIKeyMJFDQFVZHVJKFU-UHFFFAOYSA-N
XLogP1.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyloxolan-2-one?
The IUPAC name of 5-ethyl-5-methyloxolan-2-one (CID 567124) is 5-ethyl-5-methyloxolan-2-one.
What is the SMILES notation for 5-ethyl-5-methyloxolan-2-one?
The canonical SMILES for 5-ethyl-5-methyloxolan-2-one is CCC1(C)CCC(=O)O1.
What is the InChIKey of 5-ethyl-5-methyloxolan-2-one?
The InChIKey is MJFDQFVZHVJKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-7(2)5-4-6(8)9-7/h3-5H2,1-2H3.
What are the key properties of 5-ethyl-5-methyloxolan-2-one?
5-ethyl-5-methyloxolan-2-one has a molecular weight of 128.17 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyloxolan-2-one is sourced from PubChem (CID 567124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).