9-tert-butyl-1,5-dithiaspiro[5.5]undecane

C13H24S2 — CID 10999291

IUPAC9-tert-butyl-1,5-dithiaspiro[5.5]undecane
SMILESCC(C)(C)C1CCC2(CC1)SCCCS2
InChIInChI=1S/C13H24S2/c1-12(2,3)11-5-7-13(8-6-11)14-9-4-10-15-13/h11H,4-10H2,1-3H3
InChIKeyIEGZEWACYOGSRS-UHFFFAOYSA-N
MW244.47 g/mol
LogP4.79
Rot. Bonds

About 9-tert-butyl-1,5-dithiaspiro[5.5]undecane

9-tert-butyl-1,5-dithiaspiro[5.5]undecane (PubChem CID 10999291) has the molecular formula C13H24S2 and a molecular weight of 244.47 g/mol. Its IUPAC name is 9-tert-butyl-1,5-dithiaspiro[5.5]undecane.

Molecular Properties

Compound Name9-tert-butyl-1,5-dithiaspiro[5.5]undecane
PubChem CID10999291
Molecular FormulaC13H24S2
Molecular Weight244.47 g/mol
Exact Mass244.13
IUPAC Name9-tert-butyl-1,5-dithiaspiro[5.5]undecane
SMILESCC(C)(C)C1CCC2(CC1)SCCCS2
InChIInChI=1S/C13H24S2/c1-12(2,3)11-5-7-13(8-6-11)14-9-4-10-15-13/h11H,4-10H2,1-3H3
InChIKeyIEGZEWACYOGSRS-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-1,5-dithiaspiro[5.5]undecane?
The IUPAC name of 9-tert-butyl-1,5-dithiaspiro[5.5]undecane (CID 10999291) is 9-tert-butyl-1,5-dithiaspiro[5.5]undecane.
What is the SMILES notation for 9-tert-butyl-1,5-dithiaspiro[5.5]undecane?
The canonical SMILES for 9-tert-butyl-1,5-dithiaspiro[5.5]undecane is CC(C)(C)C1CCC2(CC1)SCCCS2.
What is the InChIKey of 9-tert-butyl-1,5-dithiaspiro[5.5]undecane?
The InChIKey is IEGZEWACYOGSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S2/c1-12(2,3)11-5-7-13(8-6-11)14-9-4-10-15-13/h11H,4-10H2,1-3H3.
What are the key properties of 9-tert-butyl-1,5-dithiaspiro[5.5]undecane?
9-tert-butyl-1,5-dithiaspiro[5.5]undecane has a molecular weight of 244.47 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-1,5-dithiaspiro[5.5]undecane is sourced from PubChem (CID 10999291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).