[(2R)-3-ethylsulfanyl-5-methyloxolan-2-yl]methanol

C8H16O2S — CID 118011907

IUPAC[(2R)-3-ethylsulfanyl-5-methyloxolan-2-yl]methanol
SMILESCCSC1CC(C)O[C@@H]1CO
InChIInChI=1S/C8H16O2S/c1-3-11-8-4-6(2)10-7(8)5-9/h6-9H,3-5H2,1-2H3/t6?,7-,8?/m1/s1
InChIKeyQJIAAHUIWDDSKJ-ZUEIMRROSA-N
MW176.28 g/mol
LogP1.28
Rot. Bonds3

About [(2R)-3-ethylsulfanyl-5-methyloxolan-2-yl]methanol

[(2R)-3-ethylsulfanyl-5-methyloxolan-2-yl]methanol (PubChem CID 118011907) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is [(2R)-3-ethylsulfanyl-5-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-3-ethylsulfanyl-5-methyloxolan-2-yl]methanol
PubChem CID118011907
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name[(2R)-3-ethylsulfanyl-5-methyloxolan-2-yl]methanol
SMILESCCSC1CC(C)O[C@@H]1CO
InChIInChI=1S/C8H16O2S/c1-3-11-8-4-6(2)10-7(8)5-9/h6-9H,3-5H2,1-2H3/t6?,7-,8?/m1/s1
InChIKeyQJIAAHUIWDDSKJ-ZUEIMRROSA-N
XLogP1.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3-ethylsulfanyl-5-methyloxolan-2-yl]methanol?
The IUPAC name of [(2R)-3-ethylsulfanyl-5-methyloxolan-2-yl]methanol (CID 118011907) is [(2R)-3-ethylsulfanyl-5-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2R)-3-ethylsulfanyl-5-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2R)-3-ethylsulfanyl-5-methyloxolan-2-yl]methanol is CCSC1CC(C)O[C@@H]1CO.
What is the InChIKey of [(2R)-3-ethylsulfanyl-5-methyloxolan-2-yl]methanol?
The InChIKey is QJIAAHUIWDDSKJ-ZUEIMRROSA-N. The full InChI is InChI=1S/C8H16O2S/c1-3-11-8-4-6(2)10-7(8)5-9/h6-9H,3-5H2,1-2H3/t6?,7-,8?/m1/s1.
What are the key properties of [(2R)-3-ethylsulfanyl-5-methyloxolan-2-yl]methanol?
[(2R)-3-ethylsulfanyl-5-methyloxolan-2-yl]methanol has a molecular weight of 176.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-ethylsulfanyl-5-methyloxolan-2-yl]methanol is sourced from PubChem (CID 118011907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).