2,6-dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol

C10H20OS — CID 18739538

IUPAC2,6-dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol
SMILESCSCC1CC(C)C(O)C(C)C1
InChIInChI=1S/C10H20OS/c1-7-4-9(6-12-3)5-8(2)10(7)11/h7-11H,4-6H2,1-3H3
InChIKeyWFGPIKFSQHZRLF-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.39
Rot. Bonds2

About 2,6-dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol

2,6-dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol (PubChem CID 18739538) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 2,6-dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,6-dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol
PubChem CID18739538
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2,6-dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol
SMILESCSCC1CC(C)C(O)C(C)C1
InChIInChI=1S/C10H20OS/c1-7-4-9(6-12-3)5-8(2)10(7)11/h7-11H,4-6H2,1-3H3
InChIKeyWFGPIKFSQHZRLF-UHFFFAOYSA-N
XLogP2.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol?
The IUPAC name of 2,6-dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol (CID 18739538) is 2,6-dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 2,6-dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol?
The canonical SMILES for 2,6-dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol is CSCC1CC(C)C(O)C(C)C1.
What is the InChIKey of 2,6-dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol?
The InChIKey is WFGPIKFSQHZRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-7-4-9(6-12-3)5-8(2)10(7)11/h7-11H,4-6H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol?
2,6-dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol has a molecular weight of 188.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 18739538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).