methyl sulfate;methyl(tripropyl)azanium

C11H27NO4S — CID 20570585

IUPACmethyl sulfate;methyl(tripropyl)azanium
SMILESCCC[N+](C)(CCC)CCC.COS(=O)(=O)[O-]
InChIInChI=1S/C10H24N.CH4O4S/c1-5-8-11(4,9-6-2)10-7-3;1-5-6(2,3)4/h5-10H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKeyFRIZKNRPUCLTFT-UHFFFAOYSA-M
MW269.41 g/mol
LogP1.76
Rot. Bonds7

About methyl sulfate;methyl(tripropyl)azanium

methyl sulfate;methyl(tripropyl)azanium (PubChem CID 20570585) has the molecular formula C11H27NO4S and a molecular weight of 269.41 g/mol. Its IUPAC name is methyl sulfate;methyl(tripropyl)azanium.

Molecular Properties

Compound Namemethyl sulfate;methyl(tripropyl)azanium
PubChem CID20570585
Molecular FormulaC11H27NO4S
Molecular Weight269.41 g/mol
Exact Mass269.17
IUPAC Namemethyl sulfate;methyl(tripropyl)azanium
SMILESCCC[N+](C)(CCC)CCC.COS(=O)(=O)[O-]
InChIInChI=1S/C10H24N.CH4O4S/c1-5-8-11(4,9-6-2)10-7-3;1-5-6(2,3)4/h5-10H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKeyFRIZKNRPUCLTFT-UHFFFAOYSA-M
XLogP1.76
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl sulfate;methyl(tripropyl)azanium?
The IUPAC name of methyl sulfate;methyl(tripropyl)azanium (CID 20570585) is methyl sulfate;methyl(tripropyl)azanium.
What is the SMILES notation for methyl sulfate;methyl(tripropyl)azanium?
The canonical SMILES for methyl sulfate;methyl(tripropyl)azanium is CCC[N+](C)(CCC)CCC.COS(=O)(=O)[O-].
What is the InChIKey of methyl sulfate;methyl(tripropyl)azanium?
The InChIKey is FRIZKNRPUCLTFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H24N.CH4O4S/c1-5-8-11(4,9-6-2)10-7-3;1-5-6(2,3)4/h5-10H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1.
What are the key properties of methyl sulfate;methyl(tripropyl)azanium?
methyl sulfate;methyl(tripropyl)azanium has a molecular weight of 269.41 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl sulfate;methyl(tripropyl)azanium is sourced from PubChem (CID 20570585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).