dichlorocobalt;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane

C31H32Cl2CoO2P2 — CID 11204403

IUPACdichlorocobalt;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
SMILESCC1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O1.Cl[Co]Cl
InChIInChI=1S/C31H32O2P2.2ClH.Co/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28;;;/h3-22,29-30H,23-24H2,1-2H3;2*1H;/q;;;+2/p-2/t29-,30-;;;/m0.../s1
InChIKeyWBFAMFAADWMBGF-BPTUYQQTSA-L
MW628.38 g/mol
LogP7.15
Rot. Bonds8

About dichlorocobalt;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane

dichlorocobalt;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane (PubChem CID 11204403) has the molecular formula C31H32Cl2CoO2P2 and a molecular weight of 628.38 g/mol. Its IUPAC name is dichlorocobalt;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Namedichlorocobalt;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
PubChem CID11204403
Molecular FormulaC31H32Cl2CoO2P2
Molecular Weight628.38 g/mol
Exact Mass627.06
IUPAC Namedichlorocobalt;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
SMILESCC1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O1.Cl[Co]Cl
InChIInChI=1S/C31H32O2P2.2ClH.Co/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28;;;/h3-22,29-30H,23-24H2,1-2H3;2*1H;/q;;;+2/p-2/t29-,30-;;;/m0.../s1
InChIKeyWBFAMFAADWMBGF-BPTUYQQTSA-L
XLogP7.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.38
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlorocobalt;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
The IUPAC name of dichlorocobalt;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane (CID 11204403) is dichlorocobalt;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane.
What is the SMILES notation for dichlorocobalt;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
The canonical SMILES for dichlorocobalt;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane is CC1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O1.Cl[Co]Cl.
What is the InChIKey of dichlorocobalt;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
The InChIKey is WBFAMFAADWMBGF-BPTUYQQTSA-L. The full InChI is InChI=1S/C31H32O2P2.2ClH.Co/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28;;;/h3-22,29-30H,23-24H2,1-2H3;2*1H;/q;;;+2/p-2/t29-,30-;;;/m0.../s1.
What are the key properties of dichlorocobalt;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
dichlorocobalt;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane has a molecular weight of 628.38 g/mol, XLogP of 7.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocobalt;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane is sourced from PubChem (CID 11204403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).