triethyl(methyl)azanium iodate

C7H18INO3 — CID 158535675

IUPACtriethyl(methyl)azanium iodate
SMILESCC[N+](C)(CC)CC.[O-][I+2]([O-])[O-]
InChIInChI=1S/C7H18N.IO3/c1-5-8(4,6-2)7-3;2-1(3)4/h5-7H2,1-4H3;/q+1;-1
InChIKeyCTGBVMKBOPWXMM-UHFFFAOYSA-N
MW291.13 g/mol
LogP-5.07
Rot. Bonds3

About triethyl(methyl)azanium iodate

triethyl(methyl)azanium iodate (PubChem CID 158535675) has the molecular formula C7H18INO3 and a molecular weight of 291.13 g/mol. Its IUPAC name is triethyl(methyl)azanium iodate.

Molecular Properties

Compound Nametriethyl(methyl)azanium iodate
PubChem CID158535675
Molecular FormulaC7H18INO3
Molecular Weight291.13 g/mol
Exact Mass291.03
IUPAC Nametriethyl(methyl)azanium iodate
SMILESCC[N+](C)(CC)CC.[O-][I+2]([O-])[O-]
InChIInChI=1S/C7H18N.IO3/c1-5-8(4,6-2)7-3;2-1(3)4/h5-7H2,1-4H3;/q+1;-1
InChIKeyCTGBVMKBOPWXMM-UHFFFAOYSA-N
XLogP-5.07
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 5-5.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

perchloric acid;triethyl(methyl)azanium
CID 87764447
hydron;triethyl(methyl)azanium;tetrafluoroborate
CID 87302670
bromo(trichloro)boranuide;triethyl(methyl)azanium
CID 140836548
bromo(trifluoro)boranuide;triethyl(methyl)azanium
CID 140836561
(Z)-but-2-enedioate;bis(triethyl(methyl)azanium)
CID 86743662
methanesulfonic acid;triethyl(methyl)azanium
CID 87743130
triethyl(methyl)azanium;trifluoro borate;iodide
CID 175209505
(Z)-but-2-enedioic acid;triethyl(methyl)azanium
CID 87389837
3-methylheptane;triethyl(methyl)azanium
CID 155339140
2,2-dichloropropanedioate;bis(triethyl(methyl)azanium)
CID 175220042
ethyl sulfate;triethyl(methyl)azanium
CID 118676380
diethyl-methyl-(methylsulfanylmethyl)azanium
CID 123930131

Frequently Asked Questions

What is the IUPAC name of triethyl(methyl)azanium iodate?
The IUPAC name of triethyl(methyl)azanium iodate (CID 158535675) is triethyl(methyl)azanium iodate.
What is the SMILES notation for triethyl(methyl)azanium iodate?
The canonical SMILES for triethyl(methyl)azanium iodate is CC[N+](C)(CC)CC.[O-][I+2]([O-])[O-].
What is the InChIKey of triethyl(methyl)azanium iodate?
The InChIKey is CTGBVMKBOPWXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N.IO3/c1-5-8(4,6-2)7-3;2-1(3)4/h5-7H2,1-4H3;/q+1;-1.
What are the key properties of triethyl(methyl)azanium iodate?
triethyl(methyl)azanium iodate has a molecular weight of 291.13 g/mol, XLogP of -5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(methyl)azanium iodate is sourced from PubChem (CID 158535675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).