8-[decyl(dimethyl)azaniumyl]octanoate

C20H41NO2 — CID 175686111

IUPAC8-[decyl(dimethyl)azaniumyl]octanoate
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCC(=O)[O-]
InChIInChI=1S/C20H41NO2/c1-4-5-6-7-8-9-12-15-18-21(2,3)19-16-13-10-11-14-17-20(22)23/h4-19H2,1-3H3
InChIKeyWOLQYCLAJJYNOF-UHFFFAOYSA-N
MW327.55 g/mol
LogP4.29
Rot. Bonds17

About 8-[decyl(dimethyl)azaniumyl]octanoate

8-[decyl(dimethyl)azaniumyl]octanoate (PubChem CID 175686111) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is 8-[decyl(dimethyl)azaniumyl]octanoate.

Molecular Properties

Compound Name8-[decyl(dimethyl)azaniumyl]octanoate
PubChem CID175686111
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Name8-[decyl(dimethyl)azaniumyl]octanoate
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCC(=O)[O-]
InChIInChI=1S/C20H41NO2/c1-4-5-6-7-8-9-12-15-18-21(2,3)19-16-13-10-11-14-17-20(22)23/h4-19H2,1-3H3
InChIKeyWOLQYCLAJJYNOF-UHFFFAOYSA-N
XLogP4.29
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.55
LogP ≤ 54.29
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

dimethyl(dioctadecyl)azanium;dodecanoate
CID 20560140
dihexadecyl(dimethyl)azanium;dodecanoate
CID 18702866
sodium;dimethyl(dioctadecyl)azanium;octadecanoate;chloride
CID 175319979
butanoate;didecyl(dimethyl)azanium
CID 175270974
hexanoate;trimethyl(nonyl)azanium
CID 139992279
hexadecanoate;tetramethylazanium
CID 14251637
10-(tributylazaniumyl)decanoate
CID 172737661
19-(tributylazaniumyl)nonadecanoate
CID 172767534
CID 23623890
CID 23623890
octadecanoate
CID 3033836
11-[2-hydroxytetradecyl(dimethyl)azaniumyl]undecanoate
CID 88683102
bis(octadecanoate);platinum(2+)
CID 87233709

Frequently Asked Questions

What is the IUPAC name of 8-[decyl(dimethyl)azaniumyl]octanoate?
The IUPAC name of 8-[decyl(dimethyl)azaniumyl]octanoate (CID 175686111) is 8-[decyl(dimethyl)azaniumyl]octanoate.
What is the SMILES notation for 8-[decyl(dimethyl)azaniumyl]octanoate?
The canonical SMILES for 8-[decyl(dimethyl)azaniumyl]octanoate is CCCCCCCCCC[N+](C)(C)CCCCCCCC(=O)[O-].
What is the InChIKey of 8-[decyl(dimethyl)azaniumyl]octanoate?
The InChIKey is WOLQYCLAJJYNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-12-15-18-21(2,3)19-16-13-10-11-14-17-20(22)23/h4-19H2,1-3H3.
What are the key properties of 8-[decyl(dimethyl)azaniumyl]octanoate?
8-[decyl(dimethyl)azaniumyl]octanoate has a molecular weight of 327.55 g/mol, XLogP of 4.29, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[decyl(dimethyl)azaniumyl]octanoate is sourced from PubChem (CID 175686111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).