ditert-butyl(2-ditert-butylphosphanylethyl)phosphane

C18H40P2 — CID 534762

IUPACditert-butyl(2-ditert-butylphosphanylethyl)phosphane
SMILESCC(C)(C)P(CCP(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H40P2/c1-15(2,3)19(16(4,5)6)13-14-20(17(7,8)9)18(10,11)12/h13-14H2,1-12H3
InChIKeyMWVXFEZPEPOQRE-UHFFFAOYSA-N
MW318.47 g/mol
LogP7.14
Rot. Bonds3

About ditert-butyl(2-ditert-butylphosphanylethyl)phosphane

ditert-butyl(2-ditert-butylphosphanylethyl)phosphane (PubChem CID 534762) has the molecular formula C18H40P2 and a molecular weight of 318.47 g/mol. Its IUPAC name is ditert-butyl(2-ditert-butylphosphanylethyl)phosphane.

Molecular Properties

Compound Nameditert-butyl(2-ditert-butylphosphanylethyl)phosphane
PubChem CID534762
Molecular FormulaC18H40P2
Molecular Weight318.47 g/mol
Exact Mass318.26
IUPAC Nameditert-butyl(2-ditert-butylphosphanylethyl)phosphane
SMILESCC(C)(C)P(CCP(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H40P2/c1-15(2,3)19(16(4,5)6)13-14-20(17(7,8)9)18(10,11)12/h13-14H2,1-12H3
InChIKeyMWVXFEZPEPOQRE-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.47
LogP ≤ 57.14
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(2-ditert-butylphosphanylethyl)phosphane?
The IUPAC name of ditert-butyl(2-ditert-butylphosphanylethyl)phosphane (CID 534762) is ditert-butyl(2-ditert-butylphosphanylethyl)phosphane.
What is the SMILES notation for ditert-butyl(2-ditert-butylphosphanylethyl)phosphane?
The canonical SMILES for ditert-butyl(2-ditert-butylphosphanylethyl)phosphane is CC(C)(C)P(CCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl(2-ditert-butylphosphanylethyl)phosphane?
The InChIKey is MWVXFEZPEPOQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40P2/c1-15(2,3)19(16(4,5)6)13-14-20(17(7,8)9)18(10,11)12/h13-14H2,1-12H3.
What are the key properties of ditert-butyl(2-ditert-butylphosphanylethyl)phosphane?
ditert-butyl(2-ditert-butylphosphanylethyl)phosphane has a molecular weight of 318.47 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(2-ditert-butylphosphanylethyl)phosphane is sourced from PubChem (CID 534762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).