2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol

C14H26O2S — CID 114622120

IUPAC2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol
SMILESCC1SCCCC1(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H26O2S/c1-10-14(15,7-6-8-17-10)11-9-12(2,3)16-13(11,4)5/h10-11,15H,6-9H2,1-5H3
InChIKeyAEYOLQSYOGNFQT-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.23
Rot. Bonds1

About 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol

2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol (PubChem CID 114622120) has the molecular formula C14H26O2S and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol.

Molecular Properties

Compound Name2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol
PubChem CID114622120
Molecular FormulaC14H26O2S
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol
SMILESCC1SCCCC1(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H26O2S/c1-10-14(15,7-6-8-17-10)11-9-12(2,3)16-13(11,4)5/h10-11,15H,6-9H2,1-5H3
InChIKeyAEYOLQSYOGNFQT-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol?
The IUPAC name of 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol (CID 114622120) is 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol.
What is the SMILES notation for 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol?
The canonical SMILES for 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol is CC1SCCCC1(O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol?
The InChIKey is AEYOLQSYOGNFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2S/c1-10-14(15,7-6-8-17-10)11-9-12(2,3)16-13(11,4)5/h10-11,15H,6-9H2,1-5H3.
What are the key properties of 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol?
2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol has a molecular weight of 258.43 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol is sourced from PubChem (CID 114622120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).