3-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]cyclopentan-1-ol

C12H26O2S — CID 142246151

IUPAC3-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]cyclopentan-1-ol
SMILESCC(C)(C)S(C)(C)OCC1CCC(O)C1
InChIInChI=1S/C12H26O2S/c1-12(2,3)15(4,5)14-9-10-6-7-11(13)8-10/h10-11,13H,6-9H2,1-5H3
InChIKeyXMQZXHRPBROBES-UHFFFAOYSA-N
MW234.40 g/mol
LogP2.94
Rot. Bonds3

About 3-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]cyclopentan-1-ol

3-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]cyclopentan-1-ol (PubChem CID 142246151) has the molecular formula C12H26O2S and a molecular weight of 234.40 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]cyclopentan-1-ol
PubChem CID142246151
Molecular FormulaC12H26O2S
Molecular Weight234.40 g/mol
Exact Mass234.17
IUPAC Name3-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]cyclopentan-1-ol
SMILESCC(C)(C)S(C)(C)OCC1CCC(O)C1
InChIInChI=1S/C12H26O2S/c1-12(2,3)15(4,5)14-9-10-6-7-11(13)8-10/h10-11,13H,6-9H2,1-5H3
InChIKeyXMQZXHRPBROBES-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-tert-butylsulfonylethyl)cyclopentan-1-ol
CID 106732427
3-(2-methylsulfonylethyl)cyclopentan-1-ol
CID 64513199
trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol
CID 45098984
3-(methoxymethyl)cycloheptan-1-ol
CID 79570123
cis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol
CID 42614397
trans-(1S,3S)-3-(aminomethyl)cyclopentan-1-ol
CID 42614402
cis-(1S,3R)-3-(trimethylsilylmethyl)cyclopentan-1-ol
CID 102573022
3-ethylcyclopentan-1-ol;ethyl formate
CID 157424984
3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]cyclopentan-1-ol
CID 103271409
[(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide
CID 118719160
4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol
CID 134374226
3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol
CID 113428497

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]cyclopentan-1-ol?
The IUPAC name of 3-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]cyclopentan-1-ol (CID 142246151) is 3-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]cyclopentan-1-ol is CC(C)(C)S(C)(C)OCC1CCC(O)C1.
What is the InChIKey of 3-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]cyclopentan-1-ol?
The InChIKey is XMQZXHRPBROBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2S/c1-12(2,3)15(4,5)14-9-10-6-7-11(13)8-10/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 3-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]cyclopentan-1-ol?
3-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]cyclopentan-1-ol has a molecular weight of 234.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]cyclopentan-1-ol is sourced from PubChem (CID 142246151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).