decyl methanesulfonate

C11H24O3S — CID 5235508

IUPACdecyl methanesulfonate
SMILESCCCCCCCCCCOS(C)(=O)=O
InChIInChI=1S/C11H24O3S/c1-3-4-5-6-7-8-9-10-11-14-15(2,12)13/h3-11H2,1-2H3
InChIKeyAGHOUEDRPDQZBI-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.10
Rot. Bonds10

About decyl methanesulfonate

decyl methanesulfonate (PubChem CID 5235508) has the molecular formula C11H24O3S and a molecular weight of 236.38 g/mol. Its IUPAC name is decyl methanesulfonate.

Molecular Properties

Compound Namedecyl methanesulfonate
PubChem CID5235508
Molecular FormulaC11H24O3S
Molecular Weight236.38 g/mol
Exact Mass236.14
IUPAC Namedecyl methanesulfonate
SMILESCCCCCCCCCCOS(C)(=O)=O
InChIInChI=1S/C11H24O3S/c1-3-4-5-6-7-8-9-10-11-14-15(2,12)13/h3-11H2,1-2H3
InChIKeyAGHOUEDRPDQZBI-UHFFFAOYSA-N
XLogP3.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 decyl methanesulfonate?
The IUPAC name of decyl methanesulfonate (CID 5235508) is decyl methanesulfonate.
What is the SMILES notation for decyl methanesulfonate?
The canonical SMILES for decyl methanesulfonate is CCCCCCCCCCOS(C)(=O)=O.
What is the InChIKey of decyl methanesulfonate?
The InChIKey is AGHOUEDRPDQZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3S/c1-3-4-5-6-7-8-9-10-11-14-15(2,12)13/h3-11H2,1-2H3.
What are the key properties of decyl methanesulfonate?
decyl methanesulfonate has a molecular weight of 236.38 g/mol, XLogP of 3.10, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl methanesulfonate is sourced from PubChem (CID 5235508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).