cobalt(2+);dodecyl sulfate

C24H50CoO8S2 — CID 87268751

IUPACcobalt(2+);dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].[Co+2]
InChIInChI=1S/2C12H26O4S.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2*2-12H2,1H3,(H,13,14,15);/q;;+2/p-2
InChIKeyZUNZYZCPTFQNHF-UHFFFAOYSA-L
MW589.72 g/mol
LogP6.77
Rot. Bonds24

About cobalt(2+);dodecyl sulfate

cobalt(2+);dodecyl sulfate (PubChem CID 87268751) has the molecular formula C24H50CoO8S2 and a molecular weight of 589.72 g/mol. Its IUPAC name is cobalt(2+);dodecyl sulfate.

Molecular Properties

Compound Namecobalt(2+);dodecyl sulfate
PubChem CID87268751
Molecular FormulaC24H50CoO8S2
Molecular Weight589.72 g/mol
Exact Mass589.23
IUPAC Namecobalt(2+);dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].[Co+2]
InChIInChI=1S/2C12H26O4S.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2*2-12H2,1H3,(H,13,14,15);/q;;+2/p-2
InChIKeyZUNZYZCPTFQNHF-UHFFFAOYSA-L
XLogP6.77
TPSA132.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.72
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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
dodecyl sulfate;gadolinium(3+)
CID 102378284
sodium tetradecyl sulfate
CID 23665770
sodium heptacosyl sulfate
CID 155090064
copper(1+);dodecyl sulfate
CID 174360133
sodium hexyl sulfate
CID 23678858
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 cobalt(2+);dodecyl sulfate?
The IUPAC name of cobalt(2+);dodecyl sulfate (CID 87268751) is cobalt(2+);dodecyl sulfate.
What is the SMILES notation for cobalt(2+);dodecyl sulfate?
The canonical SMILES for cobalt(2+);dodecyl sulfate is CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].[Co+2].
What is the InChIKey of cobalt(2+);dodecyl sulfate?
The InChIKey is ZUNZYZCPTFQNHF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H26O4S.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2*2-12H2,1H3,(H,13,14,15);/q;;+2/p-2.
What are the key properties of cobalt(2+);dodecyl sulfate?
cobalt(2+);dodecyl sulfate has a molecular weight of 589.72 g/mol, XLogP of 6.77, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);dodecyl sulfate is sourced from PubChem (CID 87268751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).