8-(methylsulfonylmethyl)-1,4-dioxaspiro[4.5]decane

C10H18O4S — CID 59312528

IUPAC8-(methylsulfonylmethyl)-1,4-dioxaspiro[4.5]decane
SMILESCS(=O)(=O)CC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H18O4S/c1-15(11,12)8-9-2-4-10(5-3-9)13-6-7-14-10/h9H,2-8H2,1H3
InChIKeyWFTCODGUKLPMCV-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.96
Rot. Bonds2

About 8-(methylsulfonylmethyl)-1,4-dioxaspiro[4.5]decane

8-(methylsulfonylmethyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 59312528) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 8-(methylsulfonylmethyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(methylsulfonylmethyl)-1,4-dioxaspiro[4.5]decane
PubChem CID59312528
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name8-(methylsulfonylmethyl)-1,4-dioxaspiro[4.5]decane
SMILESCS(=O)(=O)CC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H18O4S/c1-15(11,12)8-9-2-4-10(5-3-9)13-6-7-14-10/h9H,2-8H2,1H3
InChIKeyWFTCODGUKLPMCV-UHFFFAOYSA-N
XLogP0.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(methylsulfonylmethyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(methylsulfonylmethyl)-1,4-dioxaspiro[4.5]decane (CID 59312528) is 8-(methylsulfonylmethyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(methylsulfonylmethyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(methylsulfonylmethyl)-1,4-dioxaspiro[4.5]decane is CS(=O)(=O)CC1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(methylsulfonylmethyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is WFTCODGUKLPMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-15(11,12)8-9-2-4-10(5-3-9)13-6-7-14-10/h9H,2-8H2,1H3.
What are the key properties of 8-(methylsulfonylmethyl)-1,4-dioxaspiro[4.5]decane?
8-(methylsulfonylmethyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 234.32 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylsulfonylmethyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 59312528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).