2-ethoxyethyl(triethyl)azanium;pentanoate

C15H33NO3 — CID 87070975

IUPAC2-ethoxyethyl(triethyl)azanium;pentanoate
SMILESCCCCC(=O)[O-].CCOCC[N+](CC)(CC)CC
InChIInChI=1S/C10H24NO.C5H10O2/c1-5-11(6-2,7-3)9-10-12-8-4;1-2-3-4-5(6)7/h5-10H2,1-4H3;2-4H2,1H3,(H,6,7)/q+1;/p-1
InChIKeyGXSQFQMBESLSHQ-UHFFFAOYSA-M
MW275.43 g/mol
LogP1.83
Rot. Bonds10

About 2-ethoxyethyl(triethyl)azanium;pentanoate

2-ethoxyethyl(triethyl)azanium;pentanoate (PubChem CID 87070975) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is 2-ethoxyethyl(triethyl)azanium;pentanoate.

Molecular Properties

Compound Name2-ethoxyethyl(triethyl)azanium;pentanoate
PubChem CID87070975
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Name2-ethoxyethyl(triethyl)azanium;pentanoate
SMILESCCCCC(=O)[O-].CCOCC[N+](CC)(CC)CC
InChIInChI=1S/C10H24NO.C5H10O2/c1-5-11(6-2,7-3)9-10-12-8-4;1-2-3-4-5(6)7/h5-10H2,1-4H3;2-4H2,1H3,(H,6,7)/q+1;/p-1
InChIKeyGXSQFQMBESLSHQ-UHFFFAOYSA-M
XLogP1.83
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 51.83
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

2-ethoxyethyl(triethyl)azanium;ethyl carbonate
CID 167445600
ethoxymethyl(trimethyl)azanium;pentanoate
CID 87071250
pentanoate;triethyl(methoxymethyl)azanium
CID 140577540
3-(2-ethoxyethoxy)propanoate;tetrapropylazanium
CID 118645065
5-[diethyl(hexadecyl)azaniumyl]pentanoate
CID 88739288
bis(didodecyl(diethyl)azanium);hexanedioate
CID 139963461
barium(2+);bis(pentanoate)
CID 14619942
tris(pentanoate);rhodium(3+)
CID 51036063
azanium tris(pentanoate)
CID 21124108
iodanium pentanoate
CID 87769963
gold(3+);tris(pentanoate)
CID 157094863
gallium tris(pentanoate)
CID 173230335

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl(triethyl)azanium;pentanoate?
The IUPAC name of 2-ethoxyethyl(triethyl)azanium;pentanoate (CID 87070975) is 2-ethoxyethyl(triethyl)azanium;pentanoate.
What is the SMILES notation for 2-ethoxyethyl(triethyl)azanium;pentanoate?
The canonical SMILES for 2-ethoxyethyl(triethyl)azanium;pentanoate is CCCCC(=O)[O-].CCOCC[N+](CC)(CC)CC.
What is the InChIKey of 2-ethoxyethyl(triethyl)azanium;pentanoate?
The InChIKey is GXSQFQMBESLSHQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H24NO.C5H10O2/c1-5-11(6-2,7-3)9-10-12-8-4;1-2-3-4-5(6)7/h5-10H2,1-4H3;2-4H2,1H3,(H,6,7)/q+1;/p-1.
What are the key properties of 2-ethoxyethyl(triethyl)azanium;pentanoate?
2-ethoxyethyl(triethyl)azanium;pentanoate has a molecular weight of 275.43 g/mol, XLogP of 1.83, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl(triethyl)azanium;pentanoate is sourced from PubChem (CID 87070975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).