(2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane

C35H50O4P2 — CID 59422614

IUPAC(2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane
SMILESCC(C)(C)c1ccc(OPOCc2ccccc2OPOc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C35H50O4P2/c1-32(2,3)25-17-19-30(27(21-25)34(7,8)9)38-40-36-23-24-15-13-14-16-29(24)37-41-39-31-20-18-26(33(4,5)6)22-28(31)35(10,11)12/h13-22,40-41H,23H2,1-12H3
InChIKeyUUZAOCWBEXQLSB-UHFFFAOYSA-N
MW596.73 g/mol
LogP10.95
Rot. Bonds9

About (2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane

(2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane (PubChem CID 59422614) has the molecular formula C35H50O4P2 and a molecular weight of 596.73 g/mol. Its IUPAC name is (2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane.

Molecular Properties

Compound Name(2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane
PubChem CID59422614
Molecular FormulaC35H50O4P2
Molecular Weight596.73 g/mol
Exact Mass596.32
IUPAC Name(2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane
SMILESCC(C)(C)c1ccc(OPOCc2ccccc2OPOc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C35H50O4P2/c1-32(2,3)25-17-19-30(27(21-25)34(7,8)9)38-40-36-23-24-15-13-14-16-29(24)37-41-39-31-20-18-26(33(4,5)6)22-28(31)35(10,11)12/h13-22,40-41H,23H2,1-12H3
InChIKeyUUZAOCWBEXQLSB-UHFFFAOYSA-N
XLogP10.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane?
The IUPAC name of (2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane (CID 59422614) is (2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane.
What is the SMILES notation for (2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane?
The canonical SMILES for (2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane is CC(C)(C)c1ccc(OPOCc2ccccc2OPOc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of (2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane?
The InChIKey is UUZAOCWBEXQLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50O4P2/c1-32(2,3)25-17-19-30(27(21-25)34(7,8)9)38-40-36-23-24-15-13-14-16-29(24)37-41-39-31-20-18-26(33(4,5)6)22-28(31)35(10,11)12/h13-22,40-41H,23H2,1-12H3.
What are the key properties of (2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane?
(2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane has a molecular weight of 596.73 g/mol, XLogP of 10.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane is sourced from PubChem (CID 59422614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).