ditert-butyl(4-ditert-butylphosphanylbutyl)phosphane

C20H44P2 — CID 11810147

IUPACditert-butyl(4-ditert-butylphosphanylbutyl)phosphane
SMILESCC(C)(C)P(CCCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H44P2/c1-17(2,3)21(18(4,5)6)15-13-14-16-22(19(7,8)9)20(10,11)12/h13-16H2,1-12H3
InChIKeyUIYGJYHQLCCIQS-UHFFFAOYSA-N
MW346.52 g/mol
LogP7.92
Rot. Bonds5

About ditert-butyl(4-ditert-butylphosphanylbutyl)phosphane

ditert-butyl(4-ditert-butylphosphanylbutyl)phosphane (PubChem CID 11810147) has the molecular formula C20H44P2 and a molecular weight of 346.52 g/mol. Its IUPAC name is ditert-butyl(4-ditert-butylphosphanylbutyl)phosphane.

Molecular Properties

Compound Nameditert-butyl(4-ditert-butylphosphanylbutyl)phosphane
PubChem CID11810147
Molecular FormulaC20H44P2
Molecular Weight346.52 g/mol
Exact Mass346.29
IUPAC Nameditert-butyl(4-ditert-butylphosphanylbutyl)phosphane
SMILESCC(C)(C)P(CCCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H44P2/c1-17(2,3)21(18(4,5)6)15-13-14-16-22(19(7,8)9)20(10,11)12/h13-16H2,1-12H3
InChIKeyUIYGJYHQLCCIQS-UHFFFAOYSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl(4-ditert-butylphosphanylbutyl)phosphane?
The IUPAC name of ditert-butyl(4-ditert-butylphosphanylbutyl)phosphane (CID 11810147) is ditert-butyl(4-ditert-butylphosphanylbutyl)phosphane.
What is the SMILES notation for ditert-butyl(4-ditert-butylphosphanylbutyl)phosphane?
The canonical SMILES for ditert-butyl(4-ditert-butylphosphanylbutyl)phosphane is CC(C)(C)P(CCCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl(4-ditert-butylphosphanylbutyl)phosphane?
The InChIKey is UIYGJYHQLCCIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44P2/c1-17(2,3)21(18(4,5)6)15-13-14-16-22(19(7,8)9)20(10,11)12/h13-16H2,1-12H3.
What are the key properties of ditert-butyl(4-ditert-butylphosphanylbutyl)phosphane?
ditert-butyl(4-ditert-butylphosphanylbutyl)phosphane has a molecular weight of 346.52 g/mol, XLogP of 7.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(4-ditert-butylphosphanylbutyl)phosphane is sourced from PubChem (CID 11810147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).