ditert-butyl-(2,4-ditert-butylphenoxy)phosphane

C22H39OP — CID 137456665

IUPACditert-butyl-(2,4-ditert-butylphenoxy)phosphane
SMILESCC(C)(C)c1ccc(OP(C(C)(C)C)C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C22H39OP/c1-19(2,3)16-13-14-18(17(15-16)20(4,5)6)23-24(21(7,8)9)22(10,11)12/h13-15H,1-12H3
InChIKeySXDKUIORTCGHFY-UHFFFAOYSA-N
MW350.53 g/mol
LogP7.65
Rot. Bonds2

About ditert-butyl-(2,4-ditert-butylphenoxy)phosphane

ditert-butyl-(2,4-ditert-butylphenoxy)phosphane (PubChem CID 137456665) has the molecular formula C22H39OP and a molecular weight of 350.53 g/mol. Its IUPAC name is ditert-butyl-(2,4-ditert-butylphenoxy)phosphane.

Molecular Properties

Compound Nameditert-butyl-(2,4-ditert-butylphenoxy)phosphane
PubChem CID137456665
Molecular FormulaC22H39OP
Molecular Weight350.53 g/mol
Exact Mass350.27
IUPAC Nameditert-butyl-(2,4-ditert-butylphenoxy)phosphane
SMILESCC(C)(C)c1ccc(OP(C(C)(C)C)C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C22H39OP/c1-19(2,3)16-13-14-18(17(15-16)20(4,5)6)23-24(21(7,8)9)22(10,11)12/h13-15H,1-12H3
InChIKeySXDKUIORTCGHFY-UHFFFAOYSA-N
XLogP7.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.53
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,4-ditert-butylphenoxy)-dimethylphosphane
CID 19091733
(2,4-ditert-butylphenyl) dihydrogen phosphite
CID 159985357
dibismuth;tris((2,4-ditert-butylphenyl) phosphite)
CID 159144248
2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane
CID 139718939
bis(3,6-ditert-butylnaphthalen-2-yl) (2,4-ditert-butylphenyl) phosphite
CID 23002702
2,4-ditert-butyl-1-(trifluoromethoxy)benzene
CID 164683677
(2,4-ditert-butylphenoxy)-methylphosphane
CID 23594675
(2,4-ditert-butylphenyl) dihydrogen phosphate;(2,4-ditert-butylphenyl) dihydrogen phosphite
CID 159327100
(2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane
CID 90750737
[(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium
CID 172860673
tris(2,4-ditert-butylphenoxy)-sulfanylidene-λ5-phosphane
CID 175673047
[4-[4-[bis(2,4-ditert-butylphenoxy)phosphanylmethyl]phenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane
CID 134339602

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-(2,4-ditert-butylphenoxy)phosphane?
The IUPAC name of ditert-butyl-(2,4-ditert-butylphenoxy)phosphane (CID 137456665) is ditert-butyl-(2,4-ditert-butylphenoxy)phosphane.
What is the SMILES notation for ditert-butyl-(2,4-ditert-butylphenoxy)phosphane?
The canonical SMILES for ditert-butyl-(2,4-ditert-butylphenoxy)phosphane is CC(C)(C)c1ccc(OP(C(C)(C)C)C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of ditert-butyl-(2,4-ditert-butylphenoxy)phosphane?
The InChIKey is SXDKUIORTCGHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39OP/c1-19(2,3)16-13-14-18(17(15-16)20(4,5)6)23-24(21(7,8)9)22(10,11)12/h13-15H,1-12H3.
What are the key properties of ditert-butyl-(2,4-ditert-butylphenoxy)phosphane?
ditert-butyl-(2,4-ditert-butylphenoxy)phosphane has a molecular weight of 350.53 g/mol, XLogP of 7.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(2,4-ditert-butylphenoxy)phosphane is sourced from PubChem (CID 137456665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).