(3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one

C6H10O2S — CID 10877260

IUPAC(3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one
SMILESCS[C@@H]1C[C@@H](C)OC1=O
InChIInChI=1S/C6H10O2S/c1-4-3-5(9-2)6(7)8-4/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
InChIKeyXLRGSKGINCWJMA-RFZPGFLSSA-N
MW146.21 g/mol
LogP1.05
Rot. Bonds1

About (3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one

(3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one (PubChem CID 10877260) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is (3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one
PubChem CID10877260
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name(3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one
SMILESCS[C@@H]1C[C@@H](C)OC1=O
InChIInChI=1S/C6H10O2S/c1-4-3-5(9-2)6(7)8-4/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
InChIKeyXLRGSKGINCWJMA-RFZPGFLSSA-N
XLogP1.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-3-benzylsulfanyl-5-methyloxolan-2-one
CID 95154271
(3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-one
CID 129378054
(3R,5S)-3,5-dimethyloxolan-2-one
CID 5324164
3-(1-hydroxypropan-2-ylsulfanyl)-5-methyloxolan-2-one
CID 130735072
(3S,5R)-3-(3,4-dimethylphenyl)sulfanyl-5-methyloxolan-2-one
CID 94824168
(3S,5S)-3-(2-bromophenyl)sulfanyl-5-methyloxolan-2-one
CID 94732848
5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one
CID 130978509
[(3S,5R)-5-methyl-2-oxooxolan-3-yl] N,N-diethylcarbamodithioate
CID 94870764
(3S,5S)-3-[2-[di(propan-2-yl)amino]ethylsulfanyl]-5-methyloxolan-2-one
CID 97248224
5-methyl-3-propan-2-yloxolan-2-one
CID 29717
(3S,5R)-3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyloxolan-2-one
CID 51980926
(3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one
CID 40973258

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one?
The IUPAC name of (3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one (CID 10877260) is (3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one.
What is the SMILES notation for (3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one?
The canonical SMILES for (3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one is CS[C@@H]1C[C@@H](C)OC1=O.
What is the InChIKey of (3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one?
The InChIKey is XLRGSKGINCWJMA-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H10O2S/c1-4-3-5(9-2)6(7)8-4/h4-5H,3H2,1-2H3/t4-,5-/m1/s1.
What are the key properties of (3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one?
(3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one has a molecular weight of 146.21 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one is sourced from PubChem (CID 10877260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).