bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dichloroiridium(1+)

C13H24Cl2IrOP — CID 158089547

IUPACbis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dichloroiridium(1+)
SMILESCC(C)CP(O)CC(C)C.Cl[Ir+]Cl.c1cc[cH-]c1
InChIInChI=1S/C8H19OP.C5H5.2ClH.Ir/c1-7(2)5-10(9)6-8(3)4;1-2-4-5-3-1;;;/h7-9H,5-6H2,1-4H3;1-5H;2*1H;/q;-1;;;+3/p-2
InChIKeyFNXUQHGOBWKSJJ-UHFFFAOYSA-L
MW490.43 g/mol
LogP5.47
Rot. Bonds4

About bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dichloroiridium(1+)

bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dichloroiridium(1+) (PubChem CID 158089547) has the molecular formula C13H24Cl2IrOP and a molecular weight of 490.43 g/mol. Its IUPAC name is bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dichloroiridium(1+).

Molecular Properties

Compound Namebis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dichloroiridium(1+)
PubChem CID158089547
Molecular FormulaC13H24Cl2IrOP
Molecular Weight490.43 g/mol
Exact Mass490.06
IUPAC Namebis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dichloroiridium(1+)
SMILESCC(C)CP(O)CC(C)C.Cl[Ir+]Cl.c1cc[cH-]c1
InChIInChI=1S/C8H19OP.C5H5.2ClH.Ir/c1-7(2)5-10(9)6-8(3)4;1-2-4-5-3-1;;;/h7-9H,5-6H2,1-4H3;1-5H;2*1H;/q;-1;;;+3/p-2
InChIKeyFNXUQHGOBWKSJJ-UHFFFAOYSA-L
XLogP5.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.43
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclopenta-1,4-dien-1-yl-di(propan-2-yl)phosphane
CID 11984893
Ditert-butyl(cyclopenta-1,3-dien-1-yl)phosphane
CID 11984908
Tert-butyl-dichloro-hydroxy-phenyl-lambda5-phosphane
CID 88450893
Benzene;dichlororuthenium;diethylphosphinous acid
CID 89571484
Benzene;dibutylphosphinous acid;dichlororuthenium
CID 89571570
Benzene;bis(2-methylpropyl)phosphinous acid;dichlororuthenium
CID 89571574
(1R)-1-phenyl-5-propan-2-yl-2,3-dihydro-1lambda5-phosphole 1-oxide
CID 90961218
Butyl-dichloro-hydroxy-phenyl-lambda5-phosphane
CID 153810375
Cyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorozirconium
CID 154420863
Cyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium
CID 154420865
Cyclopenta-1,3-diene;3,3-dimethylbutyl(dimethyl)phosphane;trichlorozirconium
CID 154420868
Cyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorotitanium
CID 154420870

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dichloroiridium(1+)?
The IUPAC name of bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dichloroiridium(1+) (CID 158089547) is bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dichloroiridium(1+).
What is the SMILES notation for bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dichloroiridium(1+)?
The canonical SMILES for bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dichloroiridium(1+) is CC(C)CP(O)CC(C)C.Cl[Ir+]Cl.c1cc[cH-]c1.
What is the InChIKey of bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dichloroiridium(1+)?
The InChIKey is FNXUQHGOBWKSJJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H19OP.C5H5.2ClH.Ir/c1-7(2)5-10(9)6-8(3)4;1-2-4-5-3-1;;;/h7-9H,5-6H2,1-4H3;1-5H;2*1H;/q;-1;;;+3/p-2.
What are the key properties of bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dichloroiridium(1+)?
bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dichloroiridium(1+) has a molecular weight of 490.43 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dichloroiridium(1+) is sourced from PubChem (CID 158089547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).