acetic acid;didecyl(dimethyl)azanium

C24H52NO2+ — CID 87374171

IUPACacetic acid;didecyl(dimethyl)azanium
SMILESCC(=O)O.CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C22H48N.C2H4O2/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;1-2(3)4/h5-22H2,1-4H3;1H3,(H,3,4)/q+1;
InChIKeyXPZLPHAUBUNMEN-UHFFFAOYSA-N
MW386.69 g/mol
LogP7.44
Rot. Bonds18

About acetic acid;didecyl(dimethyl)azanium

acetic acid;didecyl(dimethyl)azanium (PubChem CID 87374171) has the molecular formula C24H52NO2+ and a molecular weight of 386.69 g/mol. Its IUPAC name is acetic acid;didecyl(dimethyl)azanium.

Molecular Properties

Compound Nameacetic acid;didecyl(dimethyl)azanium
PubChem CID87374171
Molecular FormulaC24H52NO2+
Molecular Weight386.69 g/mol
Exact Mass386.40
IUPAC Nameacetic acid;didecyl(dimethyl)azanium
SMILESCC(=O)O.CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C22H48N.C2H4O2/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;1-2(3)4/h5-22H2,1-4H3;1H3,(H,3,4)/q+1;
InChIKeyXPZLPHAUBUNMEN-UHFFFAOYSA-N
XLogP7.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.69
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

3-carboxypropyl-dimethyl-octadecylazanium
CID 11596115
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
dodecyl-dimethyl-undecylazanium
CID 21491028
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
dimethyl-pentyl-tridecylazanium
CID 160884159

Frequently Asked Questions

What is the IUPAC name of acetic acid;didecyl(dimethyl)azanium?
The IUPAC name of acetic acid;didecyl(dimethyl)azanium (CID 87374171) is acetic acid;didecyl(dimethyl)azanium.
What is the SMILES notation for acetic acid;didecyl(dimethyl)azanium?
The canonical SMILES for acetic acid;didecyl(dimethyl)azanium is CC(=O)O.CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.
What is the InChIKey of acetic acid;didecyl(dimethyl)azanium?
The InChIKey is XPZLPHAUBUNMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N.C2H4O2/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;1-2(3)4/h5-22H2,1-4H3;1H3,(H,3,4)/q+1;.
What are the key properties of acetic acid;didecyl(dimethyl)azanium?
acetic acid;didecyl(dimethyl)azanium has a molecular weight of 386.69 g/mol, XLogP of 7.44, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;didecyl(dimethyl)azanium is sourced from PubChem (CID 87374171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).