cobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate)

C44H62CoO6S2 — CID 21277425

IUPACcobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate)
SMILESCCCCCCCCCCCCc1ccc2ccccc2c1S(=O)(=O)[O-].CCCCCCCCCCCCc1ccc2ccccc2c1S(=O)(=O)[O-].[Co+2]
InChIInChI=1S/2C22H32O3S.Co/c2*1-2-3-4-5-6-7-8-9-10-11-15-20-18-17-19-14-12-13-16-21(19)22(20)26(23,24)25;/h2*12-14,16-18H,2-11,15H2,1H3,(H,23,24,25);/q;;+2/p-2
InChIKeyCXUGRXSUDCHWDI-UHFFFAOYSA-L
MW810.04 g/mol
LogP12.41
Rot. Bonds24

About cobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate)

cobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate) (PubChem CID 21277425) has the molecular formula C44H62CoO6S2 and a molecular weight of 810.04 g/mol. Its IUPAC name is cobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate).

Molecular Properties

Compound Namecobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate)
PubChem CID21277425
Molecular FormulaC44H62CoO6S2
Molecular Weight810.04 g/mol
Exact Mass809.33
IUPAC Namecobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate)
SMILESCCCCCCCCCCCCc1ccc2ccccc2c1S(=O)(=O)[O-].CCCCCCCCCCCCc1ccc2ccccc2c1S(=O)(=O)[O-].[Co+2]
InChIInChI=1S/2C22H32O3S.Co/c2*1-2-3-4-5-6-7-8-9-10-11-15-20-18-17-19-14-12-13-16-21(19)22(20)26(23,24)25;/h2*12-14,16-18H,2-11,15H2,1H3,(H,23,24,25);/q;;+2/p-2
InChIKeyCXUGRXSUDCHWDI-UHFFFAOYSA-L
XLogP12.41
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.04
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-docosylnaphthalene-1-sulfonate
CID 23675364
copper bis(2-butylnaphthalene-1-sulfonate)
CID 22368607
calcium bis(2,8-didecylnaphthalene-1-sulfonate)
CID 101324617
CID 87495207
CID 87495207
lithium 2,3-di(undecyl)naphthalene-1-sulfonate
CID 139620660
calcium bis(2,5-dihexylnaphthalene-1-sulfonate)
CID 101324536
sodium 2,5-di(tridecyl)naphthalene-1-sulfonate
CID 101324391
calcium;2-dodecylnaphthalene-1-sulfonic acid;hydride
CID 173426649
sodium 2,3-dihexylnaphthalene-1-sulfonate
CID 101324251
sodium 2,6-dihexylnaphthalene-1-sulfonate
CID 101324254
dicalcium;tetrakis(2,3-di(nonyl)naphthalene-1-sulfonate)
CID 139618669
barium(2+);bis(2,6-di(heptadecyl)naphthalene-1-sulfonate)
CID 101319305

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate)?
The IUPAC name of cobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate) (CID 21277425) is cobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate).
What is the SMILES notation for cobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate)?
The canonical SMILES for cobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate) is CCCCCCCCCCCCc1ccc2ccccc2c1S(=O)(=O)[O-].CCCCCCCCCCCCc1ccc2ccccc2c1S(=O)(=O)[O-].[Co+2].
What is the InChIKey of cobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate)?
The InChIKey is CXUGRXSUDCHWDI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H32O3S.Co/c2*1-2-3-4-5-6-7-8-9-10-11-15-20-18-17-19-14-12-13-16-21(19)22(20)26(23,24)25;/h2*12-14,16-18H,2-11,15H2,1H3,(H,23,24,25);/q;;+2/p-2.
What are the key properties of cobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate)?
cobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate) has a molecular weight of 810.04 g/mol, XLogP of 12.41, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate) is sourced from PubChem (CID 21277425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).