cobalt(2+);bis(tricyclohexylphosphane);dichloride

C36H66Cl2CoP2 — CID 171703558

IUPACcobalt(2+);bis(tricyclohexylphosphane);dichloride
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/2C18H33P.2ClH.Co/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*16-18H,1-15H2;2*1H;/q;;;;+2/p-2
InChIKeyXTBDMUPZCVAWRK-UHFFFAOYSA-L
MW690.71 g/mol
LogP6.94
Rot. Bonds6

About cobalt(2+);bis(tricyclohexylphosphane);dichloride

cobalt(2+);bis(tricyclohexylphosphane);dichloride (PubChem CID 171703558) has the molecular formula C36H66Cl2CoP2 and a molecular weight of 690.71 g/mol. Its IUPAC name is cobalt(2+);bis(tricyclohexylphosphane);dichloride.

Molecular Properties

Compound Namecobalt(2+);bis(tricyclohexylphosphane);dichloride
PubChem CID171703558
Molecular FormulaC36H66Cl2CoP2
Molecular Weight690.71 g/mol
Exact Mass689.33
IUPAC Namecobalt(2+);bis(tricyclohexylphosphane);dichloride
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/2C18H33P.2ClH.Co/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*16-18H,1-15H2;2*1H;/q;;;;+2/p-2
InChIKeyXTBDMUPZCVAWRK-UHFFFAOYSA-L
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.71
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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palladium;tricyclopentylphosphane
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formic acid;bis(tricyclohexylphosphane)
CID 174436191
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)phosphane
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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(tricyclohexylphosphane);dichloride?
The IUPAC name of cobalt(2+);bis(tricyclohexylphosphane);dichloride (CID 171703558) is cobalt(2+);bis(tricyclohexylphosphane);dichloride.
What is the SMILES notation for cobalt(2+);bis(tricyclohexylphosphane);dichloride?
The canonical SMILES for cobalt(2+);bis(tricyclohexylphosphane);dichloride is C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.[Cl-].[Cl-].[Co+2].
What is the InChIKey of cobalt(2+);bis(tricyclohexylphosphane);dichloride?
The InChIKey is XTBDMUPZCVAWRK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H33P.2ClH.Co/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*16-18H,1-15H2;2*1H;/q;;;;+2/p-2.
What are the key properties of cobalt(2+);bis(tricyclohexylphosphane);dichloride?
cobalt(2+);bis(tricyclohexylphosphane);dichloride has a molecular weight of 690.71 g/mol, XLogP of 6.94, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(tricyclohexylphosphane);dichloride is sourced from PubChem (CID 171703558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).