9-methylsulfonyloxynonyl methanesulfonate

C11H24O6S2 — CID 20244

IUPAC9-methylsulfonyloxynonyl methanesulfonate
SMILESCS(=O)(=O)OCCCCCCCCCOS(C)(=O)=O
InChIInChI=1S/C11H24O6S2/c1-18(12,13)16-10-8-6-4-3-5-7-9-11-17-19(2,14)15/h3-11H2,1-2H3
InChIKeyNIYYZZQGQRDTGO-UHFFFAOYSA-N
MW316.44 g/mol
LogP1.67
Rot. Bonds12

About 9-methylsulfonyloxynonyl methanesulfonate

9-methylsulfonyloxynonyl methanesulfonate (PubChem CID 20244) has the molecular formula C11H24O6S2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 9-methylsulfonyloxynonyl methanesulfonate.

Molecular Properties

Compound Name9-methylsulfonyloxynonyl methanesulfonate
PubChem CID20244
Molecular FormulaC11H24O6S2
Molecular Weight316.44 g/mol
Exact Mass316.10
IUPAC Name9-methylsulfonyloxynonyl methanesulfonate
SMILESCS(=O)(=O)OCCCCCCCCCOS(C)(=O)=O
InChIInChI=1S/C11H24O6S2/c1-18(12,13)16-10-8-6-4-3-5-7-9-11-17-19(2,14)15/h3-11H2,1-2H3
InChIKeyNIYYZZQGQRDTGO-UHFFFAOYSA-N
XLogP1.67
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methylsulfonyloxynonyl methanesulfonate?
The IUPAC name of 9-methylsulfonyloxynonyl methanesulfonate (CID 20244) is 9-methylsulfonyloxynonyl methanesulfonate.
What is the SMILES notation for 9-methylsulfonyloxynonyl methanesulfonate?
The canonical SMILES for 9-methylsulfonyloxynonyl methanesulfonate is CS(=O)(=O)OCCCCCCCCCOS(C)(=O)=O.
What is the InChIKey of 9-methylsulfonyloxynonyl methanesulfonate?
The InChIKey is NIYYZZQGQRDTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O6S2/c1-18(12,13)16-10-8-6-4-3-5-7-9-11-17-19(2,14)15/h3-11H2,1-2H3.
What are the key properties of 9-methylsulfonyloxynonyl methanesulfonate?
9-methylsulfonyloxynonyl methanesulfonate has a molecular weight of 316.44 g/mol, XLogP of 1.67, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylsulfonyloxynonyl methanesulfonate is sourced from PubChem (CID 20244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).