8-methylsulfanyl-1,4-dioxaspiro[4.5]decane

C9H16O2S — CID 567366

IUPAC8-methylsulfanyl-1,4-dioxaspiro[4.5]decane
SMILESCSC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H16O2S/c1-12-8-2-4-9(5-3-8)10-6-7-11-9/h8H,2-7H2,1H3
InChIKeyPJEDECPFOVBEEB-UHFFFAOYSA-N
MW188.29 g/mol
LogP2.04
Rot. Bonds1

About 8-methylsulfanyl-1,4-dioxaspiro[4.5]decane

8-methylsulfanyl-1,4-dioxaspiro[4.5]decane (PubChem CID 567366) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 8-methylsulfanyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-methylsulfanyl-1,4-dioxaspiro[4.5]decane
PubChem CID567366
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name8-methylsulfanyl-1,4-dioxaspiro[4.5]decane
SMILESCSC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H16O2S/c1-12-8-2-4-9(5-3-8)10-6-7-11-9/h8H,2-7H2,1H3
InChIKeyPJEDECPFOVBEEB-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfanyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-methylsulfanyl-1,4-dioxaspiro[4.5]decane (CID 567366) is 8-methylsulfanyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-methylsulfanyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-methylsulfanyl-1,4-dioxaspiro[4.5]decane is CSC1CCC2(CC1)OCCO2.
What is the InChIKey of 8-methylsulfanyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is PJEDECPFOVBEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c1-12-8-2-4-9(5-3-8)10-6-7-11-9/h8H,2-7H2,1H3.
What are the key properties of 8-methylsulfanyl-1,4-dioxaspiro[4.5]decane?
8-methylsulfanyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 188.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfanyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 567366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).