nonyl methanesulfonate

C10H22O3S — CID 15669353

IUPACnonyl methanesulfonate
SMILESCCCCCCCCCOS(C)(=O)=O
InChIInChI=1S/C10H22O3S/c1-3-4-5-6-7-8-9-10-13-14(2,11)12/h3-10H2,1-2H3
InChIKeyVEWQLGOULVHVSR-UHFFFAOYSA-N
MW222.35 g/mol
LogP2.71
Rot. Bonds9

About nonyl methanesulfonate

nonyl methanesulfonate (PubChem CID 15669353) has the molecular formula C10H22O3S and a molecular weight of 222.35 g/mol. Its IUPAC name is nonyl methanesulfonate.

Molecular Properties

Compound Namenonyl methanesulfonate
PubChem CID15669353
Molecular FormulaC10H22O3S
Molecular Weight222.35 g/mol
Exact Mass222.13
IUPAC Namenonyl methanesulfonate
SMILESCCCCCCCCCOS(C)(=O)=O
InChIInChI=1S/C10H22O3S/c1-3-4-5-6-7-8-9-10-13-14(2,11)12/h3-10H2,1-2H3
InChIKeyVEWQLGOULVHVSR-UHFFFAOYSA-N
XLogP2.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 52.71
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 nonyl methanesulfonate?
The IUPAC name of nonyl methanesulfonate (CID 15669353) is nonyl methanesulfonate.
What is the SMILES notation for nonyl methanesulfonate?
The canonical SMILES for nonyl methanesulfonate is CCCCCCCCCOS(C)(=O)=O.
What is the InChIKey of nonyl methanesulfonate?
The InChIKey is VEWQLGOULVHVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S/c1-3-4-5-6-7-8-9-10-13-14(2,11)12/h3-10H2,1-2H3.
What are the key properties of nonyl methanesulfonate?
nonyl methanesulfonate has a molecular weight of 222.35 g/mol, XLogP of 2.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl methanesulfonate is sourced from PubChem (CID 15669353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).