2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol

C16H28O2S2 — CID 79921016

IUPAC2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
SMILESOC(CSC1CCCCC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H28O2S2/c17-15(11-20-14-4-2-1-3-5-14)13-6-8-18-16(10-13)7-9-19-12-16/h13-15,17H,1-12H2
InChIKeyTXMRLDLBHNVXFE-UHFFFAOYSA-N
MW316.53 g/mol
LogP3.72
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol

2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol (PubChem CID 79921016) has the molecular formula C16H28O2S2 and a molecular weight of 316.53 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
PubChem CID79921016
Molecular FormulaC16H28O2S2
Molecular Weight316.53 g/mol
Exact Mass316.15
IUPAC Name2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
SMILESOC(CSC1CCCCC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H28O2S2/c17-15(11-20-14-4-2-1-3-5-14)13-6-8-18-16(10-13)7-9-19-12-16/h13-15,17H,1-12H2
InChIKeyTXMRLDLBHNVXFE-UHFFFAOYSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol
CID 79922366
2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79921924
2-(2-methylphenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79910750
(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106830971
N-ethyl-2-methylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79914201
[2-cyclopentyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105325944
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913679
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol
CID 103459601
1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
CID 79906005
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol
CID 79913037

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol?
The IUPAC name of 2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol (CID 79921016) is 2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol is OC(CSC1CCCCC1)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol?
The InChIKey is TXMRLDLBHNVXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2S2/c17-15(11-20-14-4-2-1-3-5-14)13-6-8-18-16(10-13)7-9-19-12-16/h13-15,17H,1-12H2.
What are the key properties of 2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol?
2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol has a molecular weight of 316.53 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol is sourced from PubChem (CID 79921016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).