hexadecanoate;tetramethylazanium

C20H43NO2 — CID 14251637

IUPAChexadecanoate;tetramethylazanium
SMILESCCCCCCCCCCCCCCCC(=O)[O-].C[N+](C)(C)C
InChIInChI=1S/C16H32O2.C4H12N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-5(2,3)4/h2-15H2,1H3,(H,17,18);1-4H3/q;+1/p-1
InChIKeyRSAVMHVHRMZJMM-UHFFFAOYSA-M
MW329.57 g/mol
LogP4.54
Rot. Bonds14

About hexadecanoate;tetramethylazanium

hexadecanoate;tetramethylazanium (PubChem CID 14251637) has the molecular formula C20H43NO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is hexadecanoate;tetramethylazanium.

Molecular Properties

Compound Namehexadecanoate;tetramethylazanium
PubChem CID14251637
Molecular FormulaC20H43NO2
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC Namehexadecanoate;tetramethylazanium
SMILESCCCCCCCCCCCCCCCC(=O)[O-].C[N+](C)(C)C
InChIInChI=1S/C16H32O2.C4H12N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-5(2,3)4/h2-15H2,1H3,(H,17,18);1-4H3/q;+1/p-1
InChIKeyRSAVMHVHRMZJMM-UHFFFAOYSA-M
XLogP4.54
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 54.54
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

CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
calcium;hexadecanoate;octadecanoate
CID 22065418
decanoate;lanthanum(3+)
CID 21139452
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
bis(undecanoate);zirconium(2+)
CID 18995554
manganese(2+);bis(tricosanoate)
CID 100951425
tetrakis(octadecanoate);thorium(4+)
CID 160802738

Frequently Asked Questions

What is the IUPAC name of hexadecanoate;tetramethylazanium?
The IUPAC name of hexadecanoate;tetramethylazanium (CID 14251637) is hexadecanoate;tetramethylazanium.
What is the SMILES notation for hexadecanoate;tetramethylazanium?
The canonical SMILES for hexadecanoate;tetramethylazanium is CCCCCCCCCCCCCCCC(=O)[O-].C[N+](C)(C)C.
What is the InChIKey of hexadecanoate;tetramethylazanium?
The InChIKey is RSAVMHVHRMZJMM-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H32O2.C4H12N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-5(2,3)4/h2-15H2,1H3,(H,17,18);1-4H3/q;+1/p-1.
What are the key properties of hexadecanoate;tetramethylazanium?
hexadecanoate;tetramethylazanium has a molecular weight of 329.57 g/mol, XLogP of 4.54, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecanoate;tetramethylazanium is sourced from PubChem (CID 14251637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).