8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane

C11H20O2S — CID 175668782

IUPAC8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane
SMILESCC(C)SC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H20O2S/c1-9(2)14-10-3-5-11(6-4-10)12-7-8-13-11/h9-10H,3-8H2,1-2H3
InChIKeyGEGMHHDZVIFFTN-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.81
Rot. Bonds2

About 8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane

8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane (PubChem CID 175668782) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane
PubChem CID175668782
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane
SMILESCC(C)SC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H20O2S/c1-9(2)14-10-3-5-11(6-4-10)12-7-8-13-11/h9-10H,3-8H2,1-2H3
InChIKeyGEGMHHDZVIFFTN-UHFFFAOYSA-N
XLogP2.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane (CID 175668782) is 8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane is CC(C)SC1CCC2(CC1)OCCO2.
What is the InChIKey of 8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is GEGMHHDZVIFFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-9(2)14-10-3-5-11(6-4-10)12-7-8-13-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane?
8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 216.35 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 175668782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).