(2-dodecoxy-2-oxoethyl)-trimethylazanium

C17H36NO2+ — CID 3036597

IUPAC(2-dodecoxy-2-oxoethyl)-trimethylazanium
SMILESCCCCCCCCCCCCOC(=O)C[N+](C)(C)C
InChIInChI=1S/C17H36NO2/c1-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16-18(2,3)4/h5-16H2,1-4H3/q+1
InChIKeyZXJLDNVXBSCEPG-UHFFFAOYSA-N
MW286.48 g/mol
LogP4.16
Rot. Bonds13

About (2-dodecoxy-2-oxoethyl)-trimethylazanium

(2-dodecoxy-2-oxoethyl)-trimethylazanium (PubChem CID 3036597) has the molecular formula C17H36NO2+ and a molecular weight of 286.48 g/mol. Its IUPAC name is (2-dodecoxy-2-oxoethyl)-trimethylazanium.

Molecular Properties

Compound Name(2-dodecoxy-2-oxoethyl)-trimethylazanium
PubChem CID3036597
Molecular FormulaC17H36NO2+
Molecular Weight286.48 g/mol
Exact Mass286.27
IUPAC Name(2-dodecoxy-2-oxoethyl)-trimethylazanium
SMILESCCCCCCCCCCCCOC(=O)C[N+](C)(C)C
InChIInChI=1S/C17H36NO2/c1-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16-18(2,3)4/h5-16H2,1-4H3/q+1
InChIKeyZXJLDNVXBSCEPG-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of (2-dodecoxy-2-oxoethyl)-trimethylazanium?
The IUPAC name of (2-dodecoxy-2-oxoethyl)-trimethylazanium (CID 3036597) is (2-dodecoxy-2-oxoethyl)-trimethylazanium.
What is the SMILES notation for (2-dodecoxy-2-oxoethyl)-trimethylazanium?
The canonical SMILES for (2-dodecoxy-2-oxoethyl)-trimethylazanium is CCCCCCCCCCCCOC(=O)C[N+](C)(C)C.
What is the InChIKey of (2-dodecoxy-2-oxoethyl)-trimethylazanium?
The InChIKey is ZXJLDNVXBSCEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36NO2/c1-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16-18(2,3)4/h5-16H2,1-4H3/q+1.
What are the key properties of (2-dodecoxy-2-oxoethyl)-trimethylazanium?
(2-dodecoxy-2-oxoethyl)-trimethylazanium has a molecular weight of 286.48 g/mol, XLogP of 4.16, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dodecoxy-2-oxoethyl)-trimethylazanium is sourced from PubChem (CID 3036597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).