2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol

C11H22OS — CID 65131092

IUPAC2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol
SMILESCCSCC(O)C1CCC(C)CC1
InChIInChI=1S/C11H22OS/c1-3-13-8-11(12)10-6-4-9(2)5-7-10/h9-12H,3-8H2,1-2H3
InChIKeyMZNGFRRBWQPKNK-UHFFFAOYSA-N
MW202.36 g/mol
LogP2.93
Rot. Bonds4

About 2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol

2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol (PubChem CID 65131092) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol
PubChem CID65131092
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol
SMILESCCSCC(O)C1CCC(C)CC1
InChIInChI=1S/C11H22OS/c1-3-13-8-11(12)10-6-4-9(2)5-7-10/h9-12H,3-8H2,1-2H3
InChIKeyMZNGFRRBWQPKNK-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol?
The IUPAC name of 2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol (CID 65131092) is 2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol?
The canonical SMILES for 2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol is CCSCC(O)C1CCC(C)CC1.
What is the InChIKey of 2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol?
The InChIKey is MZNGFRRBWQPKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-3-13-8-11(12)10-6-4-9(2)5-7-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol?
2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol has a molecular weight of 202.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol is sourced from PubChem (CID 65131092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).