ditert-butyl(3-ditert-butylphosphanylpropyl)phosphane

C19H42P2 — CID 545471

IUPACditert-butyl(3-ditert-butylphosphanylpropyl)phosphane
SMILESCC(C)(C)P(CCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H42P2/c1-16(2,3)20(17(4,5)6)14-13-15-21(18(7,8)9)19(10,11)12/h13-15H2,1-12H3
InChIKeyFJILYPCZXWVDMD-UHFFFAOYSA-N
MW332.49 g/mol
LogP7.53
Rot. Bonds4

About ditert-butyl(3-ditert-butylphosphanylpropyl)phosphane

ditert-butyl(3-ditert-butylphosphanylpropyl)phosphane (PubChem CID 545471) has the molecular formula C19H42P2 and a molecular weight of 332.49 g/mol. Its IUPAC name is ditert-butyl(3-ditert-butylphosphanylpropyl)phosphane.

Molecular Properties

Compound Nameditert-butyl(3-ditert-butylphosphanylpropyl)phosphane
PubChem CID545471
Molecular FormulaC19H42P2
Molecular Weight332.49 g/mol
Exact Mass332.28
IUPAC Nameditert-butyl(3-ditert-butylphosphanylpropyl)phosphane
SMILESCC(C)(C)P(CCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H42P2/c1-16(2,3)20(17(4,5)6)14-13-15-21(18(7,8)9)19(10,11)12/h13-15H2,1-12H3
InChIKeyFJILYPCZXWVDMD-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl(3-ditert-butylphosphanylpropyl)phosphane?
The IUPAC name of ditert-butyl(3-ditert-butylphosphanylpropyl)phosphane (CID 545471) is ditert-butyl(3-ditert-butylphosphanylpropyl)phosphane.
What is the SMILES notation for ditert-butyl(3-ditert-butylphosphanylpropyl)phosphane?
The canonical SMILES for ditert-butyl(3-ditert-butylphosphanylpropyl)phosphane is CC(C)(C)P(CCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl(3-ditert-butylphosphanylpropyl)phosphane?
The InChIKey is FJILYPCZXWVDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42P2/c1-16(2,3)20(17(4,5)6)14-13-15-21(18(7,8)9)19(10,11)12/h13-15H2,1-12H3.
What are the key properties of ditert-butyl(3-ditert-butylphosphanylpropyl)phosphane?
ditert-butyl(3-ditert-butylphosphanylpropyl)phosphane has a molecular weight of 332.49 g/mol, XLogP of 7.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(3-ditert-butylphosphanylpropyl)phosphane is sourced from PubChem (CID 545471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).