[(3R,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methanol

C11H22O2S — CID 58173897

IUPAC[(3R,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methanol
SMILESCCS[C@@H]1OC(CO)[C@H](C)[C@H](C)C1C
InChIInChI=1S/C11H22O2S/c1-5-14-11-9(4)7(2)8(3)10(6-12)13-11/h7-12H,5-6H2,1-4H3/t7-,8+,9?,10?,11-/m0/s1
InChIKeyXIJZEMGUDZRSIZ-SHGARLFGSA-N
MW218.36 g/mol
LogP2.37
Rot. Bonds3

About [(3R,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methanol

[(3R,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methanol (PubChem CID 58173897) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is [(3R,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methanol.

Molecular Properties

Compound Name[(3R,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methanol
PubChem CID58173897
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name[(3R,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methanol
SMILESCCS[C@@H]1OC(CO)[C@H](C)[C@H](C)C1C
InChIInChI=1S/C11H22O2S/c1-5-14-11-9(4)7(2)8(3)10(6-12)13-11/h7-12H,5-6H2,1-4H3/t7-,8+,9?,10?,11-/m0/s1
InChIKeyXIJZEMGUDZRSIZ-SHGARLFGSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methanol?
The IUPAC name of [(3R,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methanol (CID 58173897) is [(3R,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methanol.
What is the SMILES notation for [(3R,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methanol?
The canonical SMILES for [(3R,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methanol is CCS[C@@H]1OC(CO)[C@H](C)[C@H](C)C1C.
What is the InChIKey of [(3R,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methanol?
The InChIKey is XIJZEMGUDZRSIZ-SHGARLFGSA-N. The full InChI is InChI=1S/C11H22O2S/c1-5-14-11-9(4)7(2)8(3)10(6-12)13-11/h7-12H,5-6H2,1-4H3/t7-,8+,9?,10?,11-/m0/s1.
What are the key properties of [(3R,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methanol?
[(3R,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methanol has a molecular weight of 218.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methanol is sourced from PubChem (CID 58173897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).