2,2-dimethyloxolan-3-one

C6H10O2 — CID 13010294

IUPAC2,2-dimethyloxolan-3-one
SMILESCC1(C)OCCC1=O
InChIInChI=1S/C6H10O2/c1-6(2)5(7)3-4-8-6/h3-4H2,1-2H3
InChIKeySBFGOECBUWGUNY-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.75
Rot. Bonds

About 2,2-dimethyloxolan-3-one

2,2-dimethyloxolan-3-one (PubChem CID 13010294) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2,2-dimethyloxolan-3-one.

Molecular Properties

Compound Name2,2-dimethyloxolan-3-one
PubChem CID13010294
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2,2-dimethyloxolan-3-one
SMILESCC1(C)OCCC1=O
InChIInChI=1S/C6H10O2/c1-6(2)5(7)3-4-8-6/h3-4H2,1-2H3
InChIKeySBFGOECBUWGUNY-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyloxolan-3-one?
The IUPAC name of 2,2-dimethyloxolan-3-one (CID 13010294) is 2,2-dimethyloxolan-3-one.
What is the SMILES notation for 2,2-dimethyloxolan-3-one?
The canonical SMILES for 2,2-dimethyloxolan-3-one is CC1(C)OCCC1=O.
What is the InChIKey of 2,2-dimethyloxolan-3-one?
The InChIKey is SBFGOECBUWGUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(2)5(7)3-4-8-6/h3-4H2,1-2H3.
What are the key properties of 2,2-dimethyloxolan-3-one?
2,2-dimethyloxolan-3-one has a molecular weight of 114.14 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloxolan-3-one is sourced from PubChem (CID 13010294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).