3-methyl-3-(oxan-4-ylsulfonyl)oxolan-2-one

C10H16O5S — CID 58280579

IUPAC3-methyl-3-(oxan-4-ylsulfonyl)oxolan-2-one
SMILESCC1(S(=O)(=O)C2CCOCC2)CCOC1=O
InChIInChI=1S/C10H16O5S/c1-10(4-7-15-9(10)11)16(12,13)8-2-5-14-6-3-8/h8H,2-7H2,1H3
InChIKeyCVLGVPFOLHNONZ-UHFFFAOYSA-N
MW248.30 g/mol
LogP0.29
Rot. Bonds2

About 3-methyl-3-(oxan-4-ylsulfonyl)oxolan-2-one

3-methyl-3-(oxan-4-ylsulfonyl)oxolan-2-one (PubChem CID 58280579) has the molecular formula C10H16O5S and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-methyl-3-(oxan-4-ylsulfonyl)oxolan-2-one.

Molecular Properties

Compound Name3-methyl-3-(oxan-4-ylsulfonyl)oxolan-2-one
PubChem CID58280579
Molecular FormulaC10H16O5S
Molecular Weight248.30 g/mol
Exact Mass248.07
IUPAC Name3-methyl-3-(oxan-4-ylsulfonyl)oxolan-2-one
SMILESCC1(S(=O)(=O)C2CCOCC2)CCOC1=O
InChIInChI=1S/C10H16O5S/c1-10(4-7-15-9(10)11)16(12,13)8-2-5-14-6-3-8/h8H,2-7H2,1H3
InChIKeyCVLGVPFOLHNONZ-UHFFFAOYSA-N
XLogP0.29
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(oxan-4-ylsulfonyl)oxolan-2-one?
The IUPAC name of 3-methyl-3-(oxan-4-ylsulfonyl)oxolan-2-one (CID 58280579) is 3-methyl-3-(oxan-4-ylsulfonyl)oxolan-2-one.
What is the SMILES notation for 3-methyl-3-(oxan-4-ylsulfonyl)oxolan-2-one?
The canonical SMILES for 3-methyl-3-(oxan-4-ylsulfonyl)oxolan-2-one is CC1(S(=O)(=O)C2CCOCC2)CCOC1=O.
What is the InChIKey of 3-methyl-3-(oxan-4-ylsulfonyl)oxolan-2-one?
The InChIKey is CVLGVPFOLHNONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5S/c1-10(4-7-15-9(10)11)16(12,13)8-2-5-14-6-3-8/h8H,2-7H2,1H3.
What are the key properties of 3-methyl-3-(oxan-4-ylsulfonyl)oxolan-2-one?
3-methyl-3-(oxan-4-ylsulfonyl)oxolan-2-one has a molecular weight of 248.30 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(oxan-4-ylsulfonyl)oxolan-2-one is sourced from PubChem (CID 58280579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).