dodecyl sulfate;gadolinium(3+)

C36H75GdO12S3 — CID 102378284

IUPACdodecyl sulfate;gadolinium(3+)
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].[Gd+3]
InChIInChI=1S/3C12H26O4S.Gd/c3*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h3*2-12H2,1H3,(H,13,14,15);/q;;;+3/p-3
InChIKeyAHIHQPUDMJUVOY-UHFFFAOYSA-K
MW953.43 g/mol
LogP10.15
Rot. Bonds36

About dodecyl sulfate;gadolinium(3+)

dodecyl sulfate;gadolinium(3+) (PubChem CID 102378284) has the molecular formula C36H75GdO12S3 and a molecular weight of 953.43 g/mol. Its IUPAC name is dodecyl sulfate;gadolinium(3+).

Molecular Properties

Compound Namedodecyl sulfate;gadolinium(3+)
PubChem CID102378284
Molecular FormulaC36H75GdO12S3
Molecular Weight953.43 g/mol
Exact Mass953.37
IUPAC Namedodecyl sulfate;gadolinium(3+)
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].[Gd+3]
InChIInChI=1S/3C12H26O4S.Gd/c3*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h3*2-12H2,1H3,(H,13,14,15);/q;;;+3/p-3
InChIKeyAHIHQPUDMJUVOY-UHFFFAOYSA-K
XLogP10.15
TPSA199.29 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds36
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500953.43
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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'}

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Related Compounds

potassium decyl sulfate
CID 23673657
calcium nonyl sulfate
CID 101286747
cobalt(2+);dodecyl sulfate
CID 87268751
sodium tetradecyl sulfate
CID 23665770
sodium heptacosyl sulfate
CID 155090064
sodium hexyl sulfate
CID 23678858
copper(1+);dodecyl sulfate
CID 174360133
disodium bis(hexadecyl sulfate)
CID 10394875
magnesium bis(tricosyl sulfate)
CID 101286759
zinc octyl sulfate
CID 139716471
cesium dodecyl sulfate
CID 23711718
sodium pentadecyl sulfate
CID 23700089

Frequently Asked Questions

What is the IUPAC name of dodecyl sulfate;gadolinium(3+)?
The IUPAC name of dodecyl sulfate;gadolinium(3+) (CID 102378284) is dodecyl sulfate;gadolinium(3+).
What is the SMILES notation for dodecyl sulfate;gadolinium(3+)?
The canonical SMILES for dodecyl sulfate;gadolinium(3+) is CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].[Gd+3].
What is the InChIKey of dodecyl sulfate;gadolinium(3+)?
The InChIKey is AHIHQPUDMJUVOY-UHFFFAOYSA-K. The full InChI is InChI=1S/3C12H26O4S.Gd/c3*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h3*2-12H2,1H3,(H,13,14,15);/q;;;+3/p-3.
What are the key properties of dodecyl sulfate;gadolinium(3+)?
dodecyl sulfate;gadolinium(3+) has a molecular weight of 953.43 g/mol, XLogP of 10.15, 36 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl sulfate;gadolinium(3+) is sourced from PubChem (CID 102378284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).