aluminum;sodium;dodecyl sulfate

C48H100AlNaO16S4 — CID 160751560

IUPACaluminum;sodium;dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].[Al+3].[Na+]
InChIInChI=1S/4C12H26O4S.Al.Na/c4*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;/h4*2-12H2,1H3,(H,13,14,15);;/q;;;;+3;+1/p-4
InChIKeyRWWURMGZNGPPIO-UHFFFAOYSA-J
MW1111.55 g/mol
LogP10.16
Rot. Bonds48

About aluminum;sodium;dodecyl sulfate

aluminum;sodium;dodecyl sulfate (PubChem CID 160751560) has the molecular formula C48H100AlNaO16S4 and a molecular weight of 1111.55 g/mol. Its IUPAC name is aluminum;sodium;dodecyl sulfate.

Molecular Properties

Compound Namealuminum;sodium;dodecyl sulfate
PubChem CID160751560
Molecular FormulaC48H100AlNaO16S4
Molecular Weight1111.55 g/mol
Exact Mass1110.56
IUPAC Namealuminum;sodium;dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].[Al+3].[Na+]
InChIInChI=1S/4C12H26O4S.Al.Na/c4*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;/h4*2-12H2,1H3,(H,13,14,15);;/q;;;;+3;+1/p-4
InChIKeyRWWURMGZNGPPIO-UHFFFAOYSA-J
XLogP10.16
TPSA265.72 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds48
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001111.55
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze aluminum;sodium;dodecyl sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium tetradecyl sulfate
CID 23665770
sodium heptacosyl sulfate
CID 155090064
sodium hexyl sulfate
CID 23678858
disodium bis(hexadecyl sulfate)
CID 10394875
sodium pentadecyl sulfate
CID 23700089
sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+)
CID 162039562
potassium decyl sulfate
CID 23673657
calcium nonyl sulfate
CID 101286747
cobalt(2+);dodecyl sulfate
CID 87268751
dodecyl sulfate;gadolinium(3+)
CID 102378284
copper(1+);dodecyl sulfate
CID 174360133
zinc octyl sulfate
CID 139716471

Frequently Asked Questions

What is the IUPAC name of aluminum;sodium;dodecyl sulfate?
The IUPAC name of aluminum;sodium;dodecyl sulfate (CID 160751560) is aluminum;sodium;dodecyl sulfate.
What is the SMILES notation for aluminum;sodium;dodecyl sulfate?
The canonical SMILES for aluminum;sodium;dodecyl sulfate is CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].[Al+3].[Na+].
What is the InChIKey of aluminum;sodium;dodecyl sulfate?
The InChIKey is RWWURMGZNGPPIO-UHFFFAOYSA-J. The full InChI is InChI=1S/4C12H26O4S.Al.Na/c4*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;/h4*2-12H2,1H3,(H,13,14,15);;/q;;;;+3;+1/p-4.
What are the key properties of aluminum;sodium;dodecyl sulfate?
aluminum;sodium;dodecyl sulfate has a molecular weight of 1111.55 g/mol, XLogP of 10.16, 48 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;sodium;dodecyl sulfate is sourced from PubChem (CID 160751560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).