cobalt(2+);bis(9-(4-ethenylphenyl)octadecanoate)

C52H82CoO4 — CID 102507445

IUPACcobalt(2+);bis(9-(4-ethenylphenyl)octadecanoate)
SMILESC=Cc1ccc(C(CCCCCCCCC)CCCCCCCC(=O)[O-])cc1.C=Cc1ccc(C(CCCCCCCCC)CCCCCCCC(=O)[O-])cc1.[Co+2]
InChIInChI=1S/2C26H42O2.Co/c2*1-3-5-6-7-8-10-13-16-24(25-21-19-23(4-2)20-22-25)17-14-11-9-12-15-18-26(27)28;/h2*4,19-22,24H,2-3,5-18H2,1H3,(H,27,28);/q;;+2/p-2
InChIKeyKWABOORAIJNAGP-UHFFFAOYSA-L
MW830.16 g/mol
LogP14.07
Rot. Bonds36

About cobalt(2+);bis(9-(4-ethenylphenyl)octadecanoate)

cobalt(2+);bis(9-(4-ethenylphenyl)octadecanoate) (PubChem CID 102507445) has the molecular formula C52H82CoO4 and a molecular weight of 830.16 g/mol. Its IUPAC name is cobalt(2+);bis(9-(4-ethenylphenyl)octadecanoate).

Molecular Properties

Compound Namecobalt(2+);bis(9-(4-ethenylphenyl)octadecanoate)
PubChem CID102507445
Molecular FormulaC52H82CoO4
Molecular Weight830.16 g/mol
Exact Mass829.55
IUPAC Namecobalt(2+);bis(9-(4-ethenylphenyl)octadecanoate)
SMILESC=Cc1ccc(C(CCCCCCCCC)CCCCCCCC(=O)[O-])cc1.C=Cc1ccc(C(CCCCCCCCC)CCCCCCCC(=O)[O-])cc1.[Co+2]
InChIInChI=1S/2C26H42O2.Co/c2*1-3-5-6-7-8-10-13-16-24(25-21-19-23(4-2)20-22-25)17-14-11-9-12-15-18-26(27)28;/h2*4,19-22,24H,2-3,5-18H2,1H3,(H,27,28);/q;;+2/p-2
InChIKeyKWABOORAIJNAGP-UHFFFAOYSA-L
XLogP14.07
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds36
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.16
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-(4-ethenylphenyl)nonadecanoic acid
CID 100987364
barium(2+);bis(7-phenyloctadecanoate)
CID 101320086
sodium 12-(4-ethenylphenoxy)octadecanoate
CID 101102663
sodium 6-(4-ethenylphenoxy)octadecanoate
CID 101102665
calcium bis(14-phenyloctadecanoate)
CID 101320116
barium(2+);bis(15-phenyloctadecanoate)
CID 101320098
(9S,10S)-9,10-dihydroxyoctadecanoate
CID 25201168
tetrakis(cobalt(2+));octakis(decanoate)
CID 22485854
cobalt(2+);bis(heptanoate)
CID 14298657
barium(2+);bis(16-phenyloctadecanoate)
CID 101320100
8-(4-hydroxyphenyl)octadecanoic acid
CID 101311385
sodium (12S)-12-hydroxyoctadecanoate
CID 76956600

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(9-(4-ethenylphenyl)octadecanoate)?
The IUPAC name of cobalt(2+);bis(9-(4-ethenylphenyl)octadecanoate) (CID 102507445) is cobalt(2+);bis(9-(4-ethenylphenyl)octadecanoate).
What is the SMILES notation for cobalt(2+);bis(9-(4-ethenylphenyl)octadecanoate)?
The canonical SMILES for cobalt(2+);bis(9-(4-ethenylphenyl)octadecanoate) is C=Cc1ccc(C(CCCCCCCCC)CCCCCCCC(=O)[O-])cc1.C=Cc1ccc(C(CCCCCCCCC)CCCCCCCC(=O)[O-])cc1.[Co+2].
What is the InChIKey of cobalt(2+);bis(9-(4-ethenylphenyl)octadecanoate)?
The InChIKey is KWABOORAIJNAGP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C26H42O2.Co/c2*1-3-5-6-7-8-10-13-16-24(25-21-19-23(4-2)20-22-25)17-14-11-9-12-15-18-26(27)28;/h2*4,19-22,24H,2-3,5-18H2,1H3,(H,27,28);/q;;+2/p-2.
What are the key properties of cobalt(2+);bis(9-(4-ethenylphenyl)octadecanoate)?
cobalt(2+);bis(9-(4-ethenylphenyl)octadecanoate) has a molecular weight of 830.16 g/mol, XLogP of 14.07, 36 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(9-(4-ethenylphenyl)octadecanoate) is sourced from PubChem (CID 102507445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).