triethyl(11-prop-2-enoyloxyundecyl)azanium

C20H40NO2+ — CID 91118081

IUPACtriethyl(11-prop-2-enoyloxyundecyl)azanium
SMILESC=CC(=O)OCCCCCCCCCCC[N+](CC)(CC)CC
InChIInChI=1S/C20H40NO2/c1-5-20(22)23-19-17-15-13-11-9-10-12-14-16-18-21(6-2,7-3)8-4/h5H,1,6-19H2,2-4H3/q+1
InChIKeySTKVADNUNRBKEJ-UHFFFAOYSA-N
MW326.55 g/mol
LogP5.10
Rot. Bonds16

About triethyl(11-prop-2-enoyloxyundecyl)azanium

triethyl(11-prop-2-enoyloxyundecyl)azanium (PubChem CID 91118081) has the molecular formula C20H40NO2+ and a molecular weight of 326.55 g/mol. Its IUPAC name is triethyl(11-prop-2-enoyloxyundecyl)azanium.

Molecular Properties

Compound Nametriethyl(11-prop-2-enoyloxyundecyl)azanium
PubChem CID91118081
Molecular FormulaC20H40NO2+
Molecular Weight326.55 g/mol
Exact Mass326.31
IUPAC Nametriethyl(11-prop-2-enoyloxyundecyl)azanium
SMILESC=CC(=O)OCCCCCCCCCCC[N+](CC)(CC)CC
InChIInChI=1S/C20H40NO2/c1-5-20(22)23-19-17-15-13-11-9-10-12-14-16-18-21(6-2,7-3)8-4/h5H,1,6-19H2,2-4H3/q+1
InChIKeySTKVADNUNRBKEJ-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl(11-prop-2-enoyloxyundecyl)azanium?
The IUPAC name of triethyl(11-prop-2-enoyloxyundecyl)azanium (CID 91118081) is triethyl(11-prop-2-enoyloxyundecyl)azanium.
What is the SMILES notation for triethyl(11-prop-2-enoyloxyundecyl)azanium?
The canonical SMILES for triethyl(11-prop-2-enoyloxyundecyl)azanium is C=CC(=O)OCCCCCCCCCCC[N+](CC)(CC)CC.
What is the InChIKey of triethyl(11-prop-2-enoyloxyundecyl)azanium?
The InChIKey is STKVADNUNRBKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40NO2/c1-5-20(22)23-19-17-15-13-11-9-10-12-14-16-18-21(6-2,7-3)8-4/h5H,1,6-19H2,2-4H3/q+1.
What are the key properties of triethyl(11-prop-2-enoyloxyundecyl)azanium?
triethyl(11-prop-2-enoyloxyundecyl)azanium has a molecular weight of 326.55 g/mol, XLogP of 5.10, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(11-prop-2-enoyloxyundecyl)azanium is sourced from PubChem (CID 91118081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).