4-methyl-2-(3-methylcyclohexyl)cyclohexane-1-thiol

C14H26S — CID 140526288

IUPAC4-methyl-2-(3-methylcyclohexyl)cyclohexane-1-thiol
SMILESCC1CCCC(C2CC(C)CCC2S)C1
InChIInChI=1S/C14H26S/c1-10-4-3-5-12(8-10)13-9-11(2)6-7-14(13)15/h10-15H,3-9H2,1-2H3
InChIKeyIRNHYIODVPUACV-UHFFFAOYSA-N
MW226.43 g/mol
LogP4.55
Rot. Bonds1

About 4-methyl-2-(3-methylcyclohexyl)cyclohexane-1-thiol

4-methyl-2-(3-methylcyclohexyl)cyclohexane-1-thiol (PubChem CID 140526288) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is 4-methyl-2-(3-methylcyclohexyl)cyclohexane-1-thiol.

Molecular Properties

Compound Name4-methyl-2-(3-methylcyclohexyl)cyclohexane-1-thiol
PubChem CID140526288
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Name4-methyl-2-(3-methylcyclohexyl)cyclohexane-1-thiol
SMILESCC1CCCC(C2CC(C)CCC2S)C1
InChIInChI=1S/C14H26S/c1-10-4-3-5-12(8-10)13-9-11(2)6-7-14(13)15/h10-15H,3-9H2,1-2H3
InChIKeyIRNHYIODVPUACV-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylcyclohexyl)cyclohexane-1-thiol?
The IUPAC name of 4-methyl-2-(3-methylcyclohexyl)cyclohexane-1-thiol (CID 140526288) is 4-methyl-2-(3-methylcyclohexyl)cyclohexane-1-thiol.
What is the SMILES notation for 4-methyl-2-(3-methylcyclohexyl)cyclohexane-1-thiol?
The canonical SMILES for 4-methyl-2-(3-methylcyclohexyl)cyclohexane-1-thiol is CC1CCCC(C2CC(C)CCC2S)C1.
What is the InChIKey of 4-methyl-2-(3-methylcyclohexyl)cyclohexane-1-thiol?
The InChIKey is IRNHYIODVPUACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S/c1-10-4-3-5-12(8-10)13-9-11(2)6-7-14(13)15/h10-15H,3-9H2,1-2H3.
What are the key properties of 4-methyl-2-(3-methylcyclohexyl)cyclohexane-1-thiol?
4-methyl-2-(3-methylcyclohexyl)cyclohexane-1-thiol has a molecular weight of 226.43 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylcyclohexyl)cyclohexane-1-thiol is sourced from PubChem (CID 140526288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).