2-(methylsulfanylmethyl)-1-oxaspiro[4.5]decane

C11H20OS — CID 130670904

IUPAC2-(methylsulfanylmethyl)-1-oxaspiro[4.5]decane
SMILESCSCC1CCC2(CCCCC2)O1
InChIInChI=1S/C11H20OS/c1-13-9-10-5-8-11(12-10)6-3-2-4-7-11/h10H,2-9H2,1H3
InChIKeySKANZUCSOCSWQQ-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.23
Rot. Bonds2

About 2-(methylsulfanylmethyl)-1-oxaspiro[4.5]decane

2-(methylsulfanylmethyl)-1-oxaspiro[4.5]decane (PubChem CID 130670904) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-1-oxaspiro[4.5]decane
PubChem CID130670904
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-(methylsulfanylmethyl)-1-oxaspiro[4.5]decane
SMILESCSCC1CCC2(CCCCC2)O1
InChIInChI=1S/C11H20OS/c1-13-9-10-5-8-11(12-10)6-3-2-4-7-11/h10H,2-9H2,1H3
InChIKeySKANZUCSOCSWQQ-UHFFFAOYSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-1-oxaspiro[4.5]decane?
The IUPAC name of 2-(methylsulfanylmethyl)-1-oxaspiro[4.5]decane (CID 130670904) is 2-(methylsulfanylmethyl)-1-oxaspiro[4.5]decane.
What is the SMILES notation for 2-(methylsulfanylmethyl)-1-oxaspiro[4.5]decane?
The canonical SMILES for 2-(methylsulfanylmethyl)-1-oxaspiro[4.5]decane is CSCC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-(methylsulfanylmethyl)-1-oxaspiro[4.5]decane?
The InChIKey is SKANZUCSOCSWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-13-9-10-5-8-11(12-10)6-3-2-4-7-11/h10H,2-9H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)-1-oxaspiro[4.5]decane?
2-(methylsulfanylmethyl)-1-oxaspiro[4.5]decane has a molecular weight of 200.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-1-oxaspiro[4.5]decane is sourced from PubChem (CID 130670904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).