(2,6-ditert-butylphenyl) diphenyl phosphite

C26H31O3P — CID 86014872

IUPAC(2,6-ditert-butylphenyl) diphenyl phosphite
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1OP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C26H31O3P/c1-25(2,3)22-18-13-19-23(26(4,5)6)24(22)29-30(27-20-14-9-7-10-15-20)28-21-16-11-8-12-17-21/h7-19H,1-6H3
InChIKeyKFDJCMBQDCWWJI-UHFFFAOYSA-N
MW422.51 g/mol
LogP8.05
Rot. Bonds6

About (2,6-ditert-butylphenyl) diphenyl phosphite

(2,6-ditert-butylphenyl) diphenyl phosphite (PubChem CID 86014872) has the molecular formula C26H31O3P and a molecular weight of 422.51 g/mol. Its IUPAC name is (2,6-ditert-butylphenyl) diphenyl phosphite.

Molecular Properties

Compound Name(2,6-ditert-butylphenyl) diphenyl phosphite
PubChem CID86014872
Molecular FormulaC26H31O3P
Molecular Weight422.51 g/mol
Exact Mass422.20
IUPAC Name(2,6-ditert-butylphenyl) diphenyl phosphite
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1OP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C26H31O3P/c1-25(2,3)22-18-13-19-23(26(4,5)6)24(22)29-30(27-20-14-9-7-10-15-20)28-21-16-11-8-12-17-21/h7-19H,1-6H3
InChIKeyKFDJCMBQDCWWJI-UHFFFAOYSA-N
XLogP8.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-ditert-butylphenyl) diphenyl phosphite?
The IUPAC name of (2,6-ditert-butylphenyl) diphenyl phosphite (CID 86014872) is (2,6-ditert-butylphenyl) diphenyl phosphite.
What is the SMILES notation for (2,6-ditert-butylphenyl) diphenyl phosphite?
The canonical SMILES for (2,6-ditert-butylphenyl) diphenyl phosphite is CC(C)(C)c1cccc(C(C)(C)C)c1OP(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of (2,6-ditert-butylphenyl) diphenyl phosphite?
The InChIKey is KFDJCMBQDCWWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31O3P/c1-25(2,3)22-18-13-19-23(26(4,5)6)24(22)29-30(27-20-14-9-7-10-15-20)28-21-16-11-8-12-17-21/h7-19H,1-6H3.
What are the key properties of (2,6-ditert-butylphenyl) diphenyl phosphite?
(2,6-ditert-butylphenyl) diphenyl phosphite has a molecular weight of 422.51 g/mol, XLogP of 8.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-ditert-butylphenyl) diphenyl phosphite is sourced from PubChem (CID 86014872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).