2-(4-tert-butylcyclohexyl)-1,3-oxathiolane

C13H24OS — CID 101149243

IUPAC2-(4-tert-butylcyclohexyl)-1,3-oxathiolane
SMILESCC(C)(C)C1CCC(C2OCCS2)CC1
InChIInChI=1S/C13H24OS/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12/h10-12H,4-9H2,1-3H3
InChIKeyIUOXGAMEDXZZHP-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.93
Rot. Bonds1

About 2-(4-tert-butylcyclohexyl)-1,3-oxathiolane

2-(4-tert-butylcyclohexyl)-1,3-oxathiolane (PubChem CID 101149243) has the molecular formula C13H24OS and a molecular weight of 228.40 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-1,3-oxathiolane.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-1,3-oxathiolane
PubChem CID101149243
Molecular FormulaC13H24OS
Molecular Weight228.40 g/mol
Exact Mass228.15
IUPAC Name2-(4-tert-butylcyclohexyl)-1,3-oxathiolane
SMILESCC(C)(C)C1CCC(C2OCCS2)CC1
InChIInChI=1S/C13H24OS/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12/h10-12H,4-9H2,1-3H3
InChIKeyIUOXGAMEDXZZHP-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-1,3-oxathiolane?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-1,3-oxathiolane (CID 101149243) is 2-(4-tert-butylcyclohexyl)-1,3-oxathiolane.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-1,3-oxathiolane?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-1,3-oxathiolane is CC(C)(C)C1CCC(C2OCCS2)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-1,3-oxathiolane?
The InChIKey is IUOXGAMEDXZZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OS/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-(4-tert-butylcyclohexyl)-1,3-oxathiolane?
2-(4-tert-butylcyclohexyl)-1,3-oxathiolane has a molecular weight of 228.40 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-1,3-oxathiolane is sourced from PubChem (CID 101149243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).