(2R)-4-(ethylsulfanylmethyl)-2,6-dimethylcyclohexan-1-ol

C11H22OS — CID 166463900

IUPAC(2R)-4-(ethylsulfanylmethyl)-2,6-dimethylcyclohexan-1-ol
SMILESCCSCC1CC(C)C(O)[C@H](C)C1
InChIInChI=1S/C11H22OS/c1-4-13-7-10-5-8(2)11(12)9(3)6-10/h8-12H,4-7H2,1-3H3/t8-,9?,10?,11?/m1/s1
InChIKeyQDACIFMWSNWGAS-XUHYKBHQSA-N
MW202.36 g/mol
LogP2.78
Rot. Bonds3

About (2R)-4-(ethylsulfanylmethyl)-2,6-dimethylcyclohexan-1-ol

(2R)-4-(ethylsulfanylmethyl)-2,6-dimethylcyclohexan-1-ol (PubChem CID 166463900) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is (2R)-4-(ethylsulfanylmethyl)-2,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name(2R)-4-(ethylsulfanylmethyl)-2,6-dimethylcyclohexan-1-ol
PubChem CID166463900
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name(2R)-4-(ethylsulfanylmethyl)-2,6-dimethylcyclohexan-1-ol
SMILESCCSCC1CC(C)C(O)[C@H](C)C1
InChIInChI=1S/C11H22OS/c1-4-13-7-10-5-8(2)11(12)9(3)6-10/h8-12H,4-7H2,1-3H3/t8-,9?,10?,11?/m1/s1
InChIKeyQDACIFMWSNWGAS-XUHYKBHQSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,6S)-2-(1,3-dithian-2-yl)-6-[(1S)-1-hydroxy-2-methylpropyl]cyclohexan-1-ol
CID 14764451
2-(Methylthiomethyl)cyclohexan-1-ol
CID 126972050
2,6-Bis(methylthiomethyl)cyclohexan-1-ol
CID 129773590
7-Fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol
CID 115018305
4-Methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
CID 116617344
4-Ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
CID 116617345
4-Propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
CID 116617346
4-Propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
CID 116617349
2-(2-Methyl-1,3-dithian-2-yl)cyclohexan-1-ol
CID 18363966
(2R,3R)-6-cyclohexyl-1-propan-2-ylsulfanylhexane-2,3-diol
CID 18642363
2,6-Dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol
CID 18739538
2-Ethyl-3-octadecylsulfanylcyclohexan-1-ol
CID 20462251

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(ethylsulfanylmethyl)-2,6-dimethylcyclohexan-1-ol?
The IUPAC name of (2R)-4-(ethylsulfanylmethyl)-2,6-dimethylcyclohexan-1-ol (CID 166463900) is (2R)-4-(ethylsulfanylmethyl)-2,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for (2R)-4-(ethylsulfanylmethyl)-2,6-dimethylcyclohexan-1-ol?
The canonical SMILES for (2R)-4-(ethylsulfanylmethyl)-2,6-dimethylcyclohexan-1-ol is CCSCC1CC(C)C(O)[C@H](C)C1.
What is the InChIKey of (2R)-4-(ethylsulfanylmethyl)-2,6-dimethylcyclohexan-1-ol?
The InChIKey is QDACIFMWSNWGAS-XUHYKBHQSA-N. The full InChI is InChI=1S/C11H22OS/c1-4-13-7-10-5-8(2)11(12)9(3)6-10/h8-12H,4-7H2,1-3H3/t8-,9?,10?,11?/m1/s1.
What are the key properties of (2R)-4-(ethylsulfanylmethyl)-2,6-dimethylcyclohexan-1-ol?
(2R)-4-(ethylsulfanylmethyl)-2,6-dimethylcyclohexan-1-ol has a molecular weight of 202.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(ethylsulfanylmethyl)-2,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 166463900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).