4,4-dimethyloxolan-2-one

C6H10O2 — CID 26312

IUPAC4,4-dimethyloxolan-2-one
SMILESCC1(C)COC(=O)C1
InChIInChI=1S/C6H10O2/c1-6(2)3-5(7)8-4-6/h3-4H2,1-2H3
InChIKeyLZAKUZBAAQDJCF-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.96
Rot. Bonds

About 4,4-dimethyloxolan-2-one

4,4-dimethyloxolan-2-one (PubChem CID 26312) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 4,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name4,4-dimethyloxolan-2-one
PubChem CID26312
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name4,4-dimethyloxolan-2-one
SMILESCC1(C)COC(=O)C1
InChIInChI=1S/C6H10O2/c1-6(2)3-5(7)8-4-6/h3-4H2,1-2H3
InChIKeyLZAKUZBAAQDJCF-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 4,4-dimethyloxolan-2-one?
The IUPAC name of 4,4-dimethyloxolan-2-one (CID 26312) is 4,4-dimethyloxolan-2-one.
What is the SMILES notation for 4,4-dimethyloxolan-2-one?
The canonical SMILES for 4,4-dimethyloxolan-2-one is CC1(C)COC(=O)C1.
What is the InChIKey of 4,4-dimethyloxolan-2-one?
The InChIKey is LZAKUZBAAQDJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(2)3-5(7)8-4-6/h3-4H2,1-2H3.
What are the key properties of 4,4-dimethyloxolan-2-one?
4,4-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 4,4-dimethyloxolan-2-one is sourced from PubChem (CID 26312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).