2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane

C58H88O4P2 — CID 139718939

IUPAC2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane
SMILESCC(C)(C)c1ccc(OP(CCP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C58H88O4P2/c1-51(2,3)39-25-29-47(43(35-39)55(13,14)15)59-63(60-48-30-26-40(52(4,5)6)36-44(48)56(16,17)18)33-34-64(61-49-31-27-41(53(7,8)9)37-45(49)57(19,20)21)62-50-32-28-42(54(10,11)12)38-46(50)58(22,23)24/h25-32,35-38H,33-34H2,1-24H3
InChIKeyHLPCYRJSHQSDHW-UHFFFAOYSA-N
MW911.29 g/mol
LogP18.31
Rot. Bonds11

About 2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane

2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane (PubChem CID 139718939) has the molecular formula C58H88O4P2 and a molecular weight of 911.29 g/mol. Its IUPAC name is 2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane.

Molecular Properties

Compound Name2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane
PubChem CID139718939
Molecular FormulaC58H88O4P2
Molecular Weight911.29 g/mol
Exact Mass910.62
IUPAC Name2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane
SMILESCC(C)(C)c1ccc(OP(CCP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C58H88O4P2/c1-51(2,3)39-25-29-47(43(35-39)55(13,14)15)59-63(60-48-30-26-40(52(4,5)6)36-44(48)56(16,17)18)33-34-64(61-49-31-27-41(53(7,8)9)37-45(49)57(19,20)21)62-50-32-28-42(54(10,11)12)38-46(50)58(22,23)24/h25-32,35-38H,33-34H2,1-24H3
InChIKeyHLPCYRJSHQSDHW-UHFFFAOYSA-N
XLogP18.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.29
LogP ≤ 518.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,4-ditert-butylphenoxy)-dimethylphosphane
CID 19091733
dibismuth;tris((2,4-ditert-butylphenyl) phosphite)
CID 159144248
(2,4-ditert-butylphenyl) dihydrogen phosphite
CID 159985357
ditert-butyl-(2,4-ditert-butylphenoxy)phosphane
CID 137456665
[4-[4-[bis(2,4-ditert-butylphenoxy)phosphanylmethyl]phenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane
CID 134339602
(2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane
CID 90750737
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-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite
CID 58841208
(2,4-ditert-butylphenyl) ethanesulfonate
CID 86639499
(2,4-ditert-butylphenyl) dihydrogen phosphate;(2,4-ditert-butylphenyl) dihydrogen phosphite
CID 159327100

Frequently Asked Questions

What is the IUPAC name of 2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane?
The IUPAC name of 2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane (CID 139718939) is 2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane.
What is the SMILES notation for 2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane?
The canonical SMILES for 2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane is CC(C)(C)c1ccc(OP(CCP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane?
The InChIKey is HLPCYRJSHQSDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H88O4P2/c1-51(2,3)39-25-29-47(43(35-39)55(13,14)15)59-63(60-48-30-26-40(52(4,5)6)36-44(48)56(16,17)18)33-34-64(61-49-31-27-41(53(7,8)9)37-45(49)57(19,20)21)62-50-32-28-42(54(10,11)12)38-46(50)58(22,23)24/h25-32,35-38H,33-34H2,1-24H3.
What are the key properties of 2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane?
2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane has a molecular weight of 911.29 g/mol, XLogP of 18.31, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane is sourced from PubChem (CID 139718939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).