1-(3,4-dimethylcyclohexyl)-2-methylsulfanylethanol

C11H22OS — CID 64740031

IUPAC1-(3,4-dimethylcyclohexyl)-2-methylsulfanylethanol
SMILESCSCC(O)C1CCC(C)C(C)C1
InChIInChI=1S/C11H22OS/c1-8-4-5-10(6-9(8)2)11(12)7-13-3/h8-12H,4-7H2,1-3H3
InChIKeyGYVPAIXOEHOLGZ-UHFFFAOYSA-N
MW202.36 g/mol
LogP2.78
Rot. Bonds3

About 1-(3,4-dimethylcyclohexyl)-2-methylsulfanylethanol

1-(3,4-dimethylcyclohexyl)-2-methylsulfanylethanol (PubChem CID 64740031) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-methylsulfanylethanol.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-methylsulfanylethanol
PubChem CID64740031
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-methylsulfanylethanol
SMILESCSCC(O)C1CCC(C)C(C)C1
InChIInChI=1S/C11H22OS/c1-8-4-5-10(6-9(8)2)11(12)7-13-3/h8-12H,4-7H2,1-3H3
InChIKeyGYVPAIXOEHOLGZ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-methylsulfanylethanol?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-methylsulfanylethanol (CID 64740031) is 1-(3,4-dimethylcyclohexyl)-2-methylsulfanylethanol.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-methylsulfanylethanol?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-methylsulfanylethanol is CSCC(O)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-methylsulfanylethanol?
The InChIKey is GYVPAIXOEHOLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-8-4-5-10(6-9(8)2)11(12)7-13-3/h8-12H,4-7H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-methylsulfanylethanol?
1-(3,4-dimethylcyclohexyl)-2-methylsulfanylethanol 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 1-(3,4-dimethylcyclohexyl)-2-methylsulfanylethanol is sourced from PubChem (CID 64740031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).