5-(oxan-4-ylsulfonyl)pentan-2-one

C10H18O4S — CID 64637549

IUPAC5-(oxan-4-ylsulfonyl)pentan-2-one
SMILESCC(=O)CCCS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H18O4S/c1-9(11)3-2-8-15(12,13)10-4-6-14-7-5-10/h10H,2-8H2,1H3
InChIKeyOEDHTVCQPLYDHQ-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.95
Rot. Bonds5

About 5-(oxan-4-ylsulfonyl)pentan-2-one

5-(oxan-4-ylsulfonyl)pentan-2-one (PubChem CID 64637549) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-(oxan-4-ylsulfonyl)pentan-2-one.

Molecular Properties

Compound Name5-(oxan-4-ylsulfonyl)pentan-2-one
PubChem CID64637549
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name5-(oxan-4-ylsulfonyl)pentan-2-one
SMILESCC(=O)CCCS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H18O4S/c1-9(11)3-2-8-15(12,13)10-4-6-14-7-5-10/h10H,2-8H2,1H3
InChIKeyOEDHTVCQPLYDHQ-UHFFFAOYSA-N
XLogP0.95
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-ylsulfonyl)pentan-2-one?
The IUPAC name of 5-(oxan-4-ylsulfonyl)pentan-2-one (CID 64637549) is 5-(oxan-4-ylsulfonyl)pentan-2-one.
What is the SMILES notation for 5-(oxan-4-ylsulfonyl)pentan-2-one?
The canonical SMILES for 5-(oxan-4-ylsulfonyl)pentan-2-one is CC(=O)CCCS(=O)(=O)C1CCOCC1.
What is the InChIKey of 5-(oxan-4-ylsulfonyl)pentan-2-one?
The InChIKey is OEDHTVCQPLYDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-9(11)3-2-8-15(12,13)10-4-6-14-7-5-10/h10H,2-8H2,1H3.
What are the key properties of 5-(oxan-4-ylsulfonyl)pentan-2-one?
5-(oxan-4-ylsulfonyl)pentan-2-one has a molecular weight of 234.32 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-ylsulfonyl)pentan-2-one is sourced from PubChem (CID 64637549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).