(2,3-ditert-butylphenyl) didodecyl phosphite

C38H71O3P — CID 20512200

IUPAC(2,3-ditert-butylphenyl) didodecyl phosphite
SMILESCCCCCCCCCCCCOP(OCCCCCCCCCCCC)Oc1cccc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C38H71O3P/c1-9-11-13-15-17-19-21-23-25-27-32-39-42(40-33-28-26-24-22-20-18-16-14-12-10-2)41-35-31-29-30-34(37(3,4)5)36(35)38(6,7)8/h29-31H,9-28,32-33H2,1-8H3
InChIKeyCFMYFXIQLOZCEK-UHFFFAOYSA-N
MW606.96 g/mol
LogP13.76
Rot. Bonds26

About (2,3-ditert-butylphenyl) didodecyl phosphite

(2,3-ditert-butylphenyl) didodecyl phosphite (PubChem CID 20512200) has the molecular formula C38H71O3P and a molecular weight of 606.96 g/mol. Its IUPAC name is (2,3-ditert-butylphenyl) didodecyl phosphite.

Molecular Properties

Compound Name(2,3-ditert-butylphenyl) didodecyl phosphite
PubChem CID20512200
Molecular FormulaC38H71O3P
Molecular Weight606.96 g/mol
Exact Mass606.51
IUPAC Name(2,3-ditert-butylphenyl) didodecyl phosphite
SMILESCCCCCCCCCCCCOP(OCCCCCCCCCCCC)Oc1cccc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C38H71O3P/c1-9-11-13-15-17-19-21-23-25-27-32-39-42(40-33-28-26-24-22-20-18-16-14-12-10-2)41-35-31-29-30-34(37(3,4)5)36(35)38(6,7)8/h29-31H,9-28,32-33H2,1-8H3
InChIKeyCFMYFXIQLOZCEK-UHFFFAOYSA-N
XLogP13.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.96
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2,3-ditert-butylphenyl) didodecyl phosphite?
The IUPAC name of (2,3-ditert-butylphenyl) didodecyl phosphite (CID 20512200) is (2,3-ditert-butylphenyl) didodecyl phosphite.
What is the SMILES notation for (2,3-ditert-butylphenyl) didodecyl phosphite?
The canonical SMILES for (2,3-ditert-butylphenyl) didodecyl phosphite is CCCCCCCCCCCCOP(OCCCCCCCCCCCC)Oc1cccc(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of (2,3-ditert-butylphenyl) didodecyl phosphite?
The InChIKey is CFMYFXIQLOZCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H71O3P/c1-9-11-13-15-17-19-21-23-25-27-32-39-42(40-33-28-26-24-22-20-18-16-14-12-10-2)41-35-31-29-30-34(37(3,4)5)36(35)38(6,7)8/h29-31H,9-28,32-33H2,1-8H3.
What are the key properties of (2,3-ditert-butylphenyl) didodecyl phosphite?
(2,3-ditert-butylphenyl) didodecyl phosphite has a molecular weight of 606.96 g/mol, XLogP of 13.76, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-ditert-butylphenyl) didodecyl phosphite is sourced from PubChem (CID 20512200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).