3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one

C11H20O3S — CID 107764349

IUPAC3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one
SMILESCC1OCCC1S(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C11H20O3S/c1-8-9(5-6-14-8)15(13)7-10(12)11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyQEPUHIDOODFMJZ-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.53
Rot. Bonds3

About 3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one

3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one (PubChem CID 107764349) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one
PubChem CID107764349
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one
SMILESCC1OCCC1S(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C11H20O3S/c1-8-9(5-6-14-8)15(13)7-10(12)11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyQEPUHIDOODFMJZ-UHFFFAOYSA-N
XLogP1.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid
CID 107753126
2-methyl-N-[2-(2-methyloxolan-3-yl)sulfinylethyl]propan-2-amine
CID 107758417
2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 107764219
1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
CID 107764333
2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 107764229
1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
CID 107764329
3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine
CID 58684813
ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate
CID 107753074
N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine
CID 107758266
N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide
CID 99108035
4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
CID 107758428
3-[(2-methyloxolan-3-yl)sulfinylmethyl]benzoic acid
CID 107753094

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one?
The IUPAC name of 3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one (CID 107764349) is 3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one?
The canonical SMILES for 3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one is CC1OCCC1S(=O)CC(=O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one?
The InChIKey is QEPUHIDOODFMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-8-9(5-6-14-8)15(13)7-10(12)11(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one?
3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one has a molecular weight of 232.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one is sourced from PubChem (CID 107764349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).