3,5-dimethyloxolan-2-one

C6H10O2 — CID 21227

IUPAC3,5-dimethyloxolan-2-one
SMILESCC1CC(C)C(=O)O1
InChIInChI=1S/C6H10O2/c1-4-3-5(2)8-6(4)7/h4-5H,3H2,1-2H3
InChIKeyIYJMJJJBGWGVKX-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.96
Rot. Bonds

About 3,5-dimethyloxolan-2-one

3,5-dimethyloxolan-2-one (PubChem CID 21227) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name3,5-dimethyloxolan-2-one
PubChem CID21227
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3,5-dimethyloxolan-2-one
SMILESCC1CC(C)C(=O)O1
InChIInChI=1S/C6H10O2/c1-4-3-5(2)8-6(4)7/h4-5H,3H2,1-2H3
InChIKeyIYJMJJJBGWGVKX-UHFFFAOYSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyloxolan-2-one?
The IUPAC name of 3,5-dimethyloxolan-2-one (CID 21227) is 3,5-dimethyloxolan-2-one.
What is the SMILES notation for 3,5-dimethyloxolan-2-one?
The canonical SMILES for 3,5-dimethyloxolan-2-one is CC1CC(C)C(=O)O1.
What is the InChIKey of 3,5-dimethyloxolan-2-one?
The InChIKey is IYJMJJJBGWGVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-4-3-5(2)8-6(4)7/h4-5H,3H2,1-2H3.
What are the key properties of 3,5-dimethyloxolan-2-one?
3,5-dimethyloxolan-2-one has a molecular weight of 114.14 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyloxolan-2-one is sourced from PubChem (CID 21227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).