4-(oxolan-2-ylmethylsulfonyl)pentan-2-one

C10H18O4S — CID 106497123

IUPAC4-(oxolan-2-ylmethylsulfonyl)pentan-2-one
SMILESCC(=O)CC(C)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H18O4S/c1-8(11)6-9(2)15(12,13)7-10-4-3-5-14-10/h9-10H,3-7H2,1-2H3
InChIKeyQAVBYFPPDRDODA-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.95
Rot. Bonds5

About 4-(oxolan-2-ylmethylsulfonyl)pentan-2-one

4-(oxolan-2-ylmethylsulfonyl)pentan-2-one (PubChem CID 106497123) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylsulfonyl)pentan-2-one.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylsulfonyl)pentan-2-one
PubChem CID106497123
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name4-(oxolan-2-ylmethylsulfonyl)pentan-2-one
SMILESCC(=O)CC(C)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H18O4S/c1-8(11)6-9(2)15(12,13)7-10-4-3-5-14-10/h9-10H,3-7H2,1-2H3
InChIKeyQAVBYFPPDRDODA-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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Related Compounds

2-methyl-3-(oxolan-2-ylmethylsulfonyl)butanoic acid
CID 106493648
2-(oxan-2-ylmethylsulfonyl)propan-1-amine
CID 81187851
N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine
CID 106496026
N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64994230
3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid
CID 66113895
1-(4-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)propan-1-one
CID 106497062
methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate
CID 106493674
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylsulfonyl)pentan-2-one?
The IUPAC name of 4-(oxolan-2-ylmethylsulfonyl)pentan-2-one (CID 106497123) is 4-(oxolan-2-ylmethylsulfonyl)pentan-2-one.
What is the SMILES notation for 4-(oxolan-2-ylmethylsulfonyl)pentan-2-one?
The canonical SMILES for 4-(oxolan-2-ylmethylsulfonyl)pentan-2-one is CC(=O)CC(C)S(=O)(=O)CC1CCCO1.
What is the InChIKey of 4-(oxolan-2-ylmethylsulfonyl)pentan-2-one?
The InChIKey is QAVBYFPPDRDODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-8(11)6-9(2)15(12,13)7-10-4-3-5-14-10/h9-10H,3-7H2,1-2H3.
What are the key properties of 4-(oxolan-2-ylmethylsulfonyl)pentan-2-one?
4-(oxolan-2-ylmethylsulfonyl)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 4-(oxolan-2-ylmethylsulfonyl)pentan-2-one is sourced from PubChem (CID 106497123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).