ethyl carbonate;tributyl(methyl)azanium

C16H35NO3 — CID 137355967

IUPACethyl carbonate;tributyl(methyl)azanium
SMILESCCCC[N+](C)(CCCC)CCCC.CCOC(=O)[O-]
InChIInChI=1S/C13H30N.C3H6O3/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-2-6-3(4)5/h5-13H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyWBAXLCSXGQHBHW-UHFFFAOYSA-M
MW289.46 g/mol
LogP3.20
Rot. Bonds10

About ethyl carbonate;tributyl(methyl)azanium

ethyl carbonate;tributyl(methyl)azanium (PubChem CID 137355967) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is ethyl carbonate;tributyl(methyl)azanium.

Molecular Properties

Compound Nameethyl carbonate;tributyl(methyl)azanium
PubChem CID137355967
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Nameethyl carbonate;tributyl(methyl)azanium
SMILESCCCC[N+](C)(CCCC)CCCC.CCOC(=O)[O-]
InChIInChI=1S/C13H30N.C3H6O3/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-2-6-3(4)5/h5-13H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyWBAXLCSXGQHBHW-UHFFFAOYSA-M
XLogP3.20
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

didecyl(dimethyl)azanium;ethyl carbonate
CID 22256010
propan-2-yl carbonate;tributyl(methyl)azanium
CID 137355880
2-hydroxy-2-oxoacetate;tributyl(methyl)azanium
CID 173028371
decanedioate;bis(tributyl(methyl)azanium)
CID 141445266
2,2-difluoroacetate;tributyl(methyl)azanium
CID 127262882
propanoate;triheptyl(methyl)azanium
CID 139992270
diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate
CID 167445572
methanol;bis(tributyl(methyl)azanium);sulfate
CID 173098043
methyl N-methylcarbamate;tributyl(methyl)azanium
CID 137357212
dibutyl-methyl-pentylazanium
CID 21452154
aluminum;tributyl(methyl)azanium;tetrachloride
CID 173050889
ethanesulfonate;tributyl(methyl)azanium
CID 127262895

Frequently Asked Questions

What is the IUPAC name of ethyl carbonate;tributyl(methyl)azanium?
The IUPAC name of ethyl carbonate;tributyl(methyl)azanium (CID 137355967) is ethyl carbonate;tributyl(methyl)azanium.
What is the SMILES notation for ethyl carbonate;tributyl(methyl)azanium?
The canonical SMILES for ethyl carbonate;tributyl(methyl)azanium is CCCC[N+](C)(CCCC)CCCC.CCOC(=O)[O-].
What is the InChIKey of ethyl carbonate;tributyl(methyl)azanium?
The InChIKey is WBAXLCSXGQHBHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H30N.C3H6O3/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-2-6-3(4)5/h5-13H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1.
What are the key properties of ethyl carbonate;tributyl(methyl)azanium?
ethyl carbonate;tributyl(methyl)azanium has a molecular weight of 289.46 g/mol, XLogP of 3.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbonate;tributyl(methyl)azanium is sourced from PubChem (CID 137355967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).