azanium didodecyl sulfate

C24H54NO4S+ — CID 23617704

IUPACazanium didodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)OCCCCCCCCCCCC.[NH4+]
InChIInChI=1S/C24H50O4S.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;/h3-24H2,1-2H3;1H3/p+1
InChIKeyIMVCQNWMHCNMMA-UHFFFAOYSA-O
MW452.77 g/mol
LogP8.48
Rot. Bonds24

About azanium didodecyl sulfate

azanium didodecyl sulfate (PubChem CID 23617704) has the molecular formula C24H54NO4S+ and a molecular weight of 452.77 g/mol. Its IUPAC name is azanium didodecyl sulfate.

Molecular Properties

Compound Nameazanium didodecyl sulfate
PubChem CID23617704
Molecular FormulaC24H54NO4S+
Molecular Weight452.77 g/mol
Exact Mass452.38
IUPAC Nameazanium didodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)OCCCCCCCCCCCC.[NH4+]
InChIInChI=1S/C24H50O4S.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;/h3-24H2,1-2H3;1H3/p+1
InChIKeyIMVCQNWMHCNMMA-UHFFFAOYSA-O
XLogP8.48
TPSA89.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.77
LogP ≤ 58.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
butyl hexadecyl sulfate
CID 174632644
magnesium dihexyl sulfate
CID 21125103
sodium dihexadecyl sulfate
CID 23616668
ethyl octyl sulfate
CID 22483719
bis(3-hexoxypropyl) sulfate
CID 139845289
dodecyl 12-hydroxydodecyl sulfate
CID 54032685
dodecyl 2-sulfanylethyl sulfate
CID 88509684
2-aminoethyl dodecyl sulfate
CID 87208961
sodium;didodecyl sulfate;hydride;sulfuric acid
CID 174107474
CID 158400651
CID 158400651

Frequently Asked Questions

What is the IUPAC name of azanium didodecyl sulfate?
The IUPAC name of azanium didodecyl sulfate (CID 23617704) is azanium didodecyl sulfate.
What is the SMILES notation for azanium didodecyl sulfate?
The canonical SMILES for azanium didodecyl sulfate is CCCCCCCCCCCCOS(=O)(=O)OCCCCCCCCCCCC.[NH4+].
What is the InChIKey of azanium didodecyl sulfate?
The InChIKey is IMVCQNWMHCNMMA-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H50O4S.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;/h3-24H2,1-2H3;1H3/p+1.
What are the key properties of azanium didodecyl sulfate?
azanium didodecyl sulfate has a molecular weight of 452.77 g/mol, XLogP of 8.48, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium didodecyl sulfate is sourced from PubChem (CID 23617704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).