8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane

C13H24S2 — CID 594637

IUPAC8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane
SMILESCC1CCC(C(C)C)C2(C1)SCCCS2
InChIInChI=1S/C13H24S2/c1-10(2)12-6-5-11(3)9-13(12)14-7-4-8-15-13/h10-12H,4-9H2,1-3H3
InChIKeySIUOWPYCFGPLQV-UHFFFAOYSA-N
MW244.47 g/mol
LogP4.64
Rot. Bonds1

About 8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane

8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane (PubChem CID 594637) has the molecular formula C13H24S2 and a molecular weight of 244.47 g/mol. Its IUPAC name is 8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane.

Molecular Properties

Compound Name8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane
PubChem CID594637
Molecular FormulaC13H24S2
Molecular Weight244.47 g/mol
Exact Mass244.13
IUPAC Name8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane
SMILESCC1CCC(C(C)C)C2(C1)SCCCS2
InChIInChI=1S/C13H24S2/c1-10(2)12-6-5-11(3)9-13(12)14-7-4-8-15-13/h10-12H,4-9H2,1-3H3
InChIKeySIUOWPYCFGPLQV-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.47
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane?
The IUPAC name of 8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane (CID 594637) is 8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane.
What is the SMILES notation for 8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane?
The canonical SMILES for 8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane is CC1CCC(C(C)C)C2(C1)SCCCS2.
What is the InChIKey of 8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane?
The InChIKey is SIUOWPYCFGPLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S2/c1-10(2)12-6-5-11(3)9-13(12)14-7-4-8-15-13/h10-12H,4-9H2,1-3H3.
What are the key properties of 8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane?
8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane has a molecular weight of 244.47 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane is sourced from PubChem (CID 594637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).