(4-tert-butylphenyl) didodecyl phosphite

C34H63O3P — CID 59608946

IUPAC(4-tert-butylphenyl) didodecyl phosphite
SMILESCCCCCCCCCCCCOP(OCCCCCCCCCCCC)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C34H63O3P/c1-6-8-10-12-14-16-18-20-22-24-30-35-38(37-33-28-26-32(27-29-33)34(3,4)5)36-31-25-23-21-19-17-15-13-11-9-7-2/h26-29H,6-25,30-31H2,1-5H3
InChIKeyJBKWJURSKXZCGL-UHFFFAOYSA-N
MW550.85 g/mol
LogP12.46
Rot. Bonds26

About (4-tert-butylphenyl) didodecyl phosphite

(4-tert-butylphenyl) didodecyl phosphite (PubChem CID 59608946) has the molecular formula C34H63O3P and a molecular weight of 550.85 g/mol. Its IUPAC name is (4-tert-butylphenyl) didodecyl phosphite.

Molecular Properties

Compound Name(4-tert-butylphenyl) didodecyl phosphite
PubChem CID59608946
Molecular FormulaC34H63O3P
Molecular Weight550.85 g/mol
Exact Mass550.45
IUPAC Name(4-tert-butylphenyl) didodecyl phosphite
SMILESCCCCCCCCCCCCOP(OCCCCCCCCCCCC)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C34H63O3P/c1-6-8-10-12-14-16-18-20-22-24-30-35-38(37-33-28-26-32(27-29-33)34(3,4)5)36-31-25-23-21-19-17-15-13-11-9-7-2/h26-29H,6-25,30-31H2,1-5H3
InChIKeyJBKWJURSKXZCGL-UHFFFAOYSA-N
XLogP12.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.85
LogP ≤ 512.46
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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Related Compounds

[(E)-octadec-9-enyl] bis[4-(2-phenylpropan-2-yl)phenyl] phosphite
CID 126572970
octyl bis(4-octylphenyl) phosphite
CID 57093552
diphenyl 11-undecoxyundecyl phosphite
CID 101311931
diphenyl 13-tridecoxytridecyl phosphite
CID 101311954
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite
CID 67255445
(2,3-ditert-butylphenyl) didodecyl phosphite
CID 20512200
phenyl bis(12-tridecoxytridecyl) phosphite
CID 101311892
phenyl bis(4-tridecoxytridecyl) phosphite
CID 101311900
triheptadecyl phosphite
CID 23435031
butyl-[5-(4-tert-butylphenoxy)pentyl]azanium
CID 2248472
(4-tert-butylphenyl) diphenyl phosphite
CID 19796180
cyclohexyl phenyl undecyl phosphite
CID 101312055

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl) didodecyl phosphite?
The IUPAC name of (4-tert-butylphenyl) didodecyl phosphite (CID 59608946) is (4-tert-butylphenyl) didodecyl phosphite.
What is the SMILES notation for (4-tert-butylphenyl) didodecyl phosphite?
The canonical SMILES for (4-tert-butylphenyl) didodecyl phosphite is CCCCCCCCCCCCOP(OCCCCCCCCCCCC)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl) didodecyl phosphite?
The InChIKey is JBKWJURSKXZCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H63O3P/c1-6-8-10-12-14-16-18-20-22-24-30-35-38(37-33-28-26-32(27-29-33)34(3,4)5)36-31-25-23-21-19-17-15-13-11-9-7-2/h26-29H,6-25,30-31H2,1-5H3.
What are the key properties of (4-tert-butylphenyl) didodecyl phosphite?
(4-tert-butylphenyl) didodecyl phosphite has a molecular weight of 550.85 g/mol, XLogP of 12.46, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl) didodecyl phosphite is sourced from PubChem (CID 59608946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).