2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol

C16H30O2S — CID 59909187

IUPAC2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol
SMILESCC1CC(C)C(O)C(SC2CC(C)CC(C)C2O)C1
InChIInChI=1S/C16H30O2S/c1-9-5-11(3)15(17)13(7-9)19-14-8-10(2)6-12(4)16(14)18/h9-18H,5-8H2,1-4H3
InChIKeyBLFVGKAVAWNTHK-UHFFFAOYSA-N
MW286.48 g/mol
LogP3.31
Rot. Bonds2

About 2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol

2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol (PubChem CID 59909187) has the molecular formula C16H30O2S and a molecular weight of 286.48 g/mol. Its IUPAC name is 2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol
PubChem CID59909187
Molecular FormulaC16H30O2S
Molecular Weight286.48 g/mol
Exact Mass286.20
IUPAC Name2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol
SMILESCC1CC(C)C(O)C(SC2CC(C)CC(C)C2O)C1
InChIInChI=1S/C16H30O2S/c1-9-5-11(3)15(17)13(7-9)19-14-8-10(2)6-12(4)16(14)18/h9-18H,5-8H2,1-4H3
InChIKeyBLFVGKAVAWNTHK-UHFFFAOYSA-N
XLogP3.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

2-Thiaadamantan-4-ol
CID 598357
2,6-Dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol
CID 18739538
1-Cyclohexyl-2-(2-cyclohexyl-2-hydroxyethyl)sulfanylethanol
CID 57043704
Dichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol
CID 59909186
4-Ethylsulfanyl-2,6-dimethylcyclohexan-1-ol
CID 90824879
2-(2-Hydroxyethylsulfanylmethyl)-4-nonylcyclohexan-1-ol
CID 140427449
2-Tert-butyl-6-(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)sulfanyl-4-ethylcyclohexan-1-ol
CID 140432252
2-Tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylcyclohexyl)sulfanyl-4-methylcyclohexan-1-ol
CID 140432268
4-Ethyl-2-(5-ethyl-2-hydroxy-3-methylcyclohexyl)sulfanyl-6-methylcyclohexan-1-ol
CID 140432272
2-(2-Hydroxy-5-methyl-3-propan-2-ylcyclohexyl)sulfanyl-4-methyl-6-propan-2-ylcyclohexan-1-ol
CID 140432274
Cyclohexyl-(4-hydroxy-3,5-dimethylcyclohexyl)sulfanium
CID 140458176
4-Cyclohexylsulfanyl-2,6-dimethylcyclohexan-1-ol
CID 140458177

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol?
The IUPAC name of 2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol (CID 59909187) is 2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol is CC1CC(C)C(O)C(SC2CC(C)CC(C)C2O)C1.
What is the InChIKey of 2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol?
The InChIKey is BLFVGKAVAWNTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2S/c1-9-5-11(3)15(17)13(7-9)19-14-8-10(2)6-12(4)16(14)18/h9-18H,5-8H2,1-4H3.
What are the key properties of 2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol?
2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol has a molecular weight of 286.48 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 59909187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).