2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol

C18H38S — CID 144841343

IUPAC2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol
SMILESCC.CC(C)(C1CCCCC1)C1CCCCC1.CS
InChIInChI=1S/C15H28.C2H6.CH4S/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;2*1-2/h13-14H,3-12H2,1-2H3;1-2H3;2H,1H3
InChIKeyKRISBXIPSGXQNN-UHFFFAOYSA-N
MW286.57 g/mol
LogP6.75
Rot. Bonds2

About 2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol

2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol (PubChem CID 144841343) has the molecular formula C18H38S and a molecular weight of 286.57 g/mol. Its IUPAC name is 2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol.

Molecular Properties

Compound Name2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol
PubChem CID144841343
Molecular FormulaC18H38S
Molecular Weight286.57 g/mol
Exact Mass286.27
IUPAC Name2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol
SMILESCC.CC(C)(C1CCCCC1)C1CCCCC1.CS
InChIInChI=1S/C15H28.C2H6.CH4S/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;2*1-2/h13-14H,3-12H2,1-2H3;1-2H3;2H,1H3
InChIKeyKRISBXIPSGXQNN-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.57
LogP ≤ 56.75
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 2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol?
The IUPAC name of 2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol (CID 144841343) is 2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol.
What is the SMILES notation for 2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol?
The canonical SMILES for 2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol is CC.CC(C)(C1CCCCC1)C1CCCCC1.CS.
What is the InChIKey of 2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol?
The InChIKey is KRISBXIPSGXQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28.C2H6.CH4S/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;2*1-2/h13-14H,3-12H2,1-2H3;1-2H3;2H,1H3.
What are the key properties of 2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol?
2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol has a molecular weight of 286.57 g/mol, XLogP of 6.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol is sourced from PubChem (CID 144841343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).