2-(3-tert-butylcyclohexyl)-5-methylthiolane

C15H28S — CID 70309258

IUPAC2-(3-tert-butylcyclohexyl)-5-methylthiolane
SMILESCC1CCC(C2CCCC(C(C)(C)C)C2)S1
InChIInChI=1S/C15H28S/c1-11-8-9-14(16-11)12-6-5-7-13(10-12)15(2,3)4/h11-14H,5-10H2,1-4H3
InChIKeyXOQONOPPABRIIO-UHFFFAOYSA-N
MW240.46 g/mol
LogP5.12
Rot. Bonds1

About 2-(3-tert-butylcyclohexyl)-5-methylthiolane

2-(3-tert-butylcyclohexyl)-5-methylthiolane (PubChem CID 70309258) has the molecular formula C15H28S and a molecular weight of 240.46 g/mol. Its IUPAC name is 2-(3-tert-butylcyclohexyl)-5-methylthiolane.

Molecular Properties

Compound Name2-(3-tert-butylcyclohexyl)-5-methylthiolane
PubChem CID70309258
Molecular FormulaC15H28S
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name2-(3-tert-butylcyclohexyl)-5-methylthiolane
SMILESCC1CCC(C2CCCC(C(C)(C)C)C2)S1
InChIInChI=1S/C15H28S/c1-11-8-9-14(16-11)12-6-5-7-13(10-12)15(2,3)4/h11-14H,5-10H2,1-4H3
InChIKeyXOQONOPPABRIIO-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.46
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylcyclohexyl)-5-methylthiolane?
The IUPAC name of 2-(3-tert-butylcyclohexyl)-5-methylthiolane (CID 70309258) is 2-(3-tert-butylcyclohexyl)-5-methylthiolane.
What is the SMILES notation for 2-(3-tert-butylcyclohexyl)-5-methylthiolane?
The canonical SMILES for 2-(3-tert-butylcyclohexyl)-5-methylthiolane is CC1CCC(C2CCCC(C(C)(C)C)C2)S1.
What is the InChIKey of 2-(3-tert-butylcyclohexyl)-5-methylthiolane?
The InChIKey is XOQONOPPABRIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28S/c1-11-8-9-14(16-11)12-6-5-7-13(10-12)15(2,3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-(3-tert-butylcyclohexyl)-5-methylthiolane?
2-(3-tert-butylcyclohexyl)-5-methylthiolane has a molecular weight of 240.46 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylcyclohexyl)-5-methylthiolane is sourced from PubChem (CID 70309258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).