3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol

C12H24O2S — CID 114622050

IUPAC3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
SMILESCSCCC(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H24O2S/c1-11(2)8-9(12(3,4)14-11)10(13)6-7-15-5/h9-10,13H,6-8H2,1-5H3
InChIKeyBLWVBTAXLPURBA-UHFFFAOYSA-N
MW232.39 g/mol
LogP2.69
Rot. Bonds4

About 3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol

3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol (PubChem CID 114622050) has the molecular formula C12H24O2S and a molecular weight of 232.39 g/mol. Its IUPAC name is 3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
PubChem CID114622050
Molecular FormulaC12H24O2S
Molecular Weight232.39 g/mol
Exact Mass232.15
IUPAC Name3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
SMILESCSCCC(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H24O2S/c1-11(2)8-9(12(3,4)14-11)10(13)6-7-15-5/h9-10,13H,6-8H2,1-5H3
InChIKeyBLWVBTAXLPURBA-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol
CID 115838780
4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol
CID 105132000
3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
CID 114622056
2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622710
3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622047
3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 115838835
3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 105131997
2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114624352
3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622577
[2-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]hydrazine
CID 105214018
2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 115838834
2-(oxolan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622736

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The IUPAC name of 3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol (CID 114622050) is 3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol.
What is the SMILES notation for 3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The canonical SMILES for 3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol is CSCCC(O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The InChIKey is BLWVBTAXLPURBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2S/c1-11(2)8-9(12(3,4)14-11)10(13)6-7-15-5/h9-10,13H,6-8H2,1-5H3.
What are the key properties of 3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol has a molecular weight of 232.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol is sourced from PubChem (CID 114622050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).