7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-ol

C9H16O5S — CID 62784765

IUPAC7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCS(=O)(=O)C1CC2(CCC1O)OCCO2
InChIInChI=1S/C9H16O5S/c1-15(11,12)8-6-9(3-2-7(8)10)13-4-5-14-9/h7-8,10H,2-6H2,1H3
InChIKeyLTRJTMCQYHTTQH-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.31
Rot. Bonds1

About 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-ol

7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 62784765) has the molecular formula C9H16O5S and a molecular weight of 236.29 g/mol. Its IUPAC name is 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID62784765
Molecular FormulaC9H16O5S
Molecular Weight236.29 g/mol
Exact Mass236.07
IUPAC Name7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCS(=O)(=O)C1CC2(CCC1O)OCCO2
InChIInChI=1S/C9H16O5S/c1-15(11,12)8-6-9(3-2-7(8)10)13-4-5-14-9/h7-8,10H,2-6H2,1H3
InChIKeyLTRJTMCQYHTTQH-UHFFFAOYSA-N
XLogP-0.31
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-ol (CID 62784765) is 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-ol is CS(=O)(=O)C1CC2(CCC1O)OCCO2.
What is the InChIKey of 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is LTRJTMCQYHTTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5S/c1-15(11,12)8-6-9(3-2-7(8)10)13-4-5-14-9/h7-8,10H,2-6H2,1H3.
What are the key properties of 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-ol?
7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 236.29 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 62784765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).