trimethyl(2-tetradecoxycarbonyloxyethyl)azanium

C20H42NO3+ — CID 86345276

IUPACtrimethyl(2-tetradecoxycarbonyloxyethyl)azanium
SMILESCCCCCCCCCCCCCCOC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C20H42NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-23-20(22)24-19-17-21(2,3)4/h5-19H2,1-4H3/q+1
InChIKeyRGBXYNXCIJQCCO-UHFFFAOYSA-N
MW344.56 g/mol
LogP5.55
Rot. Bonds16

About trimethyl(2-tetradecoxycarbonyloxyethyl)azanium

trimethyl(2-tetradecoxycarbonyloxyethyl)azanium (PubChem CID 86345276) has the molecular formula C20H42NO3+ and a molecular weight of 344.56 g/mol. Its IUPAC name is trimethyl(2-tetradecoxycarbonyloxyethyl)azanium.

Molecular Properties

Compound Nametrimethyl(2-tetradecoxycarbonyloxyethyl)azanium
PubChem CID86345276
Molecular FormulaC20H42NO3+
Molecular Weight344.56 g/mol
Exact Mass344.32
IUPAC Nametrimethyl(2-tetradecoxycarbonyloxyethyl)azanium
SMILESCCCCCCCCCCCCCCOC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C20H42NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-23-20(22)24-19-17-21(2,3)4/h5-19H2,1-4H3/q+1
InChIKeyRGBXYNXCIJQCCO-UHFFFAOYSA-N
XLogP5.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.56
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
azane;dioctyl carbonate
CID 174626203
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
butyl pentyl carbonate
CID 545576
dodecyl-[2-[2-[dodecyl(dimethyl)azaniumyl]ethoxycarbonyloxy]ethyl]-dimethylazanium
CID 102200373
ethyl heptadecyl carbonate
CID 6421524
ethyl tetradecyl carbonate
CID 6421505
trimethyl(2-octadecanoyloxyethyl)azanium;hydroiodide
CID 133108690
(6-dodecoxy-6-oxohexyl)-trimethylazanium iodide
CID 156812733

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-tetradecoxycarbonyloxyethyl)azanium?
The IUPAC name of trimethyl(2-tetradecoxycarbonyloxyethyl)azanium (CID 86345276) is trimethyl(2-tetradecoxycarbonyloxyethyl)azanium.
What is the SMILES notation for trimethyl(2-tetradecoxycarbonyloxyethyl)azanium?
The canonical SMILES for trimethyl(2-tetradecoxycarbonyloxyethyl)azanium is CCCCCCCCCCCCCCOC(=O)OCC[N+](C)(C)C.
What is the InChIKey of trimethyl(2-tetradecoxycarbonyloxyethyl)azanium?
The InChIKey is RGBXYNXCIJQCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-23-20(22)24-19-17-21(2,3)4/h5-19H2,1-4H3/q+1.
What are the key properties of trimethyl(2-tetradecoxycarbonyloxyethyl)azanium?
trimethyl(2-tetradecoxycarbonyloxyethyl)azanium has a molecular weight of 344.56 g/mol, XLogP of 5.55, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-tetradecoxycarbonyloxyethyl)azanium is sourced from PubChem (CID 86345276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).