cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

C13H22O2S — CID 79921485

IUPACcyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESOC(C1CCC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H22O2S/c14-12(10-2-1-3-10)11-4-6-15-13(8-11)5-7-16-9-13/h10-12,14H,1-9H2
InChIKeyWYDFPHWFHVAYRU-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.45
Rot. Bonds2

About cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (PubChem CID 79921485) has the molecular formula C13H22O2S and a molecular weight of 242.38 g/mol. Its IUPAC name is cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Namecyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
PubChem CID79921485
Molecular FormulaC13H22O2S
Molecular Weight242.38 g/mol
Exact Mass242.13
IUPAC Namecyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESOC(C1CCC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H22O2S/c14-12(10-2-1-3-10)11-4-6-15-13(8-11)5-7-16-9-13/h10-12,14H,1-9H2
InChIKeyWYDFPHWFHVAYRU-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol 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-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 79913976
1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79962909
(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106830971
1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-3-yl)methanol
CID 80559224
7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921658
cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899192
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
[1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921312
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79913146
1-[hydroxy(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452227
(1,1-dioxothiolan-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115336503
3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol
CID 103459601

Frequently Asked Questions

What is the IUPAC name of cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (CID 79921485) is cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is OC(C1CCC1)C1CCOC2(CCSC2)C1.
What is the InChIKey of cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The InChIKey is WYDFPHWFHVAYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2S/c14-12(10-2-1-3-10)11-4-6-15-13(8-11)5-7-16-9-13/h10-12,14H,1-9H2.
What are the key properties of cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol has a molecular weight of 242.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79921485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).