(2-decoxy-2-oxoethyl)-triethylazanium

C18H38NO2+ — CID 3090772

IUPAC(2-decoxy-2-oxoethyl)-triethylazanium
SMILESCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC
InChIInChI=1S/C18H38NO2/c1-5-9-10-11-12-13-14-15-16-21-18(20)17-19(6-2,7-3)8-4/h5-17H2,1-4H3/q+1
InChIKeyYAWBMBJFONWVFE-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.55
Rot. Bonds14

About (2-decoxy-2-oxoethyl)-triethylazanium

(2-decoxy-2-oxoethyl)-triethylazanium (PubChem CID 3090772) has the molecular formula C18H38NO2+ and a molecular weight of 300.51 g/mol. Its IUPAC name is (2-decoxy-2-oxoethyl)-triethylazanium.

Molecular Properties

Compound Name(2-decoxy-2-oxoethyl)-triethylazanium
PubChem CID3090772
Molecular FormulaC18H38NO2+
Molecular Weight300.51 g/mol
Exact Mass300.29
IUPAC Name(2-decoxy-2-oxoethyl)-triethylazanium
SMILESCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC
InChIInChI=1S/C18H38NO2/c1-5-9-10-11-12-13-14-15-16-21-18(20)17-19(6-2,7-3)8-4/h5-17H2,1-4H3/q+1
InChIKeyYAWBMBJFONWVFE-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-decoxy-2-oxoethyl)-triethylazanium chloride
CID 12573194
tributyl-(2-dodecoxy-2-oxoethyl)azanium
CID 3654865
(2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium
CID 100972951
(2-dodecoxy-2-oxoethyl)-[[(2-dodecoxy-2-oxoethyl)-dimethylazaniumyl]methylsulfanylmethyl]-dimethylazanium dichloride
CID 156699850
dihexadecyl butanedioate
CID 3572854
1-O-octyl 4-O-undecyl butanedioate
CID 91702141
1-O-dodecyl 4-O-octadecyl butanedioate
CID 151076861
(2-decoxy-2-oxoethyl)-dimethyl-propan-2-ylazanium
CID 144771316
(2-dodecoxy-2-oxoethyl)-[6-[(2-dodecoxy-2-oxoethyl)-dimethylazaniumyl]hexyl]-dimethylazanium chloride
CID 156594940
tridecyl 2-(2-oxo-2-tridecoxyethyl)sulfanylacetate
CID 134207809
dioctyl hexanedioate
CID 161382548
14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181696

Frequently Asked Questions

What is the IUPAC name of (2-decoxy-2-oxoethyl)-triethylazanium?
The IUPAC name of (2-decoxy-2-oxoethyl)-triethylazanium (CID 3090772) is (2-decoxy-2-oxoethyl)-triethylazanium.
What is the SMILES notation for (2-decoxy-2-oxoethyl)-triethylazanium?
The canonical SMILES for (2-decoxy-2-oxoethyl)-triethylazanium is CCCCCCCCCCOC(=O)C[N+](CC)(CC)CC.
What is the InChIKey of (2-decoxy-2-oxoethyl)-triethylazanium?
The InChIKey is YAWBMBJFONWVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38NO2/c1-5-9-10-11-12-13-14-15-16-21-18(20)17-19(6-2,7-3)8-4/h5-17H2,1-4H3/q+1.
What are the key properties of (2-decoxy-2-oxoethyl)-triethylazanium?
(2-decoxy-2-oxoethyl)-triethylazanium has a molecular weight of 300.51 g/mol, XLogP of 4.55, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-decoxy-2-oxoethyl)-triethylazanium is sourced from PubChem (CID 3090772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).