5-acetyl-5-methyloxolan-2-one

C7H10O3 — CID 14342373

IUPAC5-acetyl-5-methyloxolan-2-one
SMILESCC(=O)C1(C)CCC(=O)O1
InChIInChI=1S/C7H10O3/c1-5(8)7(2)4-3-6(9)10-7/h3-4H2,1-2H3
InChIKeyBIIRVPKXIODSMG-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.67
Rot. Bonds1

About 5-acetyl-5-methyloxolan-2-one

5-acetyl-5-methyloxolan-2-one (PubChem CID 14342373) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 5-acetyl-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-acetyl-5-methyloxolan-2-one
PubChem CID14342373
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name5-acetyl-5-methyloxolan-2-one
SMILESCC(=O)C1(C)CCC(=O)O1
InChIInChI=1S/C7H10O3/c1-5(8)7(2)4-3-6(9)10-7/h3-4H2,1-2H3
InChIKeyBIIRVPKXIODSMG-UHFFFAOYSA-N
XLogP0.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-5-methyloxolan-2-one?
The IUPAC name of 5-acetyl-5-methyloxolan-2-one (CID 14342373) is 5-acetyl-5-methyloxolan-2-one.
What is the SMILES notation for 5-acetyl-5-methyloxolan-2-one?
The canonical SMILES for 5-acetyl-5-methyloxolan-2-one is CC(=O)C1(C)CCC(=O)O1.
What is the InChIKey of 5-acetyl-5-methyloxolan-2-one?
The InChIKey is BIIRVPKXIODSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5(8)7(2)4-3-6(9)10-7/h3-4H2,1-2H3.
What are the key properties of 5-acetyl-5-methyloxolan-2-one?
5-acetyl-5-methyloxolan-2-one has a molecular weight of 142.15 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-5-methyloxolan-2-one is sourced from PubChem (CID 14342373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).