propyl-(2,4,6-tritert-butylphenyl)phosphane

C21H37P — CID 16697508

IUPACpropyl-(2,4,6-tritert-butylphenyl)phosphane
SMILESCCCPc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C21H37P/c1-11-12-22-18-16(20(5,6)7)13-15(19(2,3)4)14-17(18)21(8,9)10/h13-14,22H,11-12H2,1-10H3
InChIKeyYWFOHVBSGOEFHC-UHFFFAOYSA-N
MW320.50 g/mol
LogP6.29
Rot. Bonds3

About propyl-(2,4,6-tritert-butylphenyl)phosphane

propyl-(2,4,6-tritert-butylphenyl)phosphane (PubChem CID 16697508) has the molecular formula C21H37P and a molecular weight of 320.50 g/mol. Its IUPAC name is propyl-(2,4,6-tritert-butylphenyl)phosphane.

Molecular Properties

Compound Namepropyl-(2,4,6-tritert-butylphenyl)phosphane
PubChem CID16697508
Molecular FormulaC21H37P
Molecular Weight320.50 g/mol
Exact Mass320.26
IUPAC Namepropyl-(2,4,6-tritert-butylphenyl)phosphane
SMILESCCCPc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C21H37P/c1-11-12-22-18-16(20(5,6)7)13-15(19(2,3)4)14-17(18)21(8,9)10/h13-14,22H,11-12H2,1-10H3
InChIKeyYWFOHVBSGOEFHC-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 56.29
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 propyl-(2,4,6-tritert-butylphenyl)phosphane?
The IUPAC name of propyl-(2,4,6-tritert-butylphenyl)phosphane (CID 16697508) is propyl-(2,4,6-tritert-butylphenyl)phosphane.
What is the SMILES notation for propyl-(2,4,6-tritert-butylphenyl)phosphane?
The canonical SMILES for propyl-(2,4,6-tritert-butylphenyl)phosphane is CCCPc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of propyl-(2,4,6-tritert-butylphenyl)phosphane?
The InChIKey is YWFOHVBSGOEFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37P/c1-11-12-22-18-16(20(5,6)7)13-15(19(2,3)4)14-17(18)21(8,9)10/h13-14,22H,11-12H2,1-10H3.
What are the key properties of propyl-(2,4,6-tritert-butylphenyl)phosphane?
propyl-(2,4,6-tritert-butylphenyl)phosphane has a molecular weight of 320.50 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propyl-(2,4,6-tritert-butylphenyl)phosphane is sourced from PubChem (CID 16697508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).