tris(2,4-dibutylphenyl) phosphite

C42H63O3P — CID 10974297

IUPACtris(2,4-dibutylphenyl) phosphite
SMILESCCCCc1ccc(OP(Oc2ccc(CCCC)cc2CCCC)Oc2ccc(CCCC)cc2CCCC)c(CCCC)c1
InChIInChI=1S/C42H63O3P/c1-7-13-19-34-25-28-40(37(31-34)22-16-10-4)43-46(44-41-29-26-35(20-14-8-2)32-38(41)23-17-11-5)45-42-30-27-36(21-15-9-3)33-39(42)24-18-12-6/h25-33H,7-24H2,1-6H3
InChIKeyCFAVHELRAWFONI-UHFFFAOYSA-N
MW646.94 g/mol
LogP13.51
Rot. Bonds24

About tris(2,4-dibutylphenyl) phosphite

tris(2,4-dibutylphenyl) phosphite (PubChem CID 10974297) has the molecular formula C42H63O3P and a molecular weight of 646.94 g/mol. Its IUPAC name is tris(2,4-dibutylphenyl) phosphite.

Molecular Properties

Compound Nametris(2,4-dibutylphenyl) phosphite
PubChem CID10974297
Molecular FormulaC42H63O3P
Molecular Weight646.94 g/mol
Exact Mass646.45
IUPAC Nametris(2,4-dibutylphenyl) phosphite
SMILESCCCCc1ccc(OP(Oc2ccc(CCCC)cc2CCCC)Oc2ccc(CCCC)cc2CCCC)c(CCCC)c1
InChIInChI=1S/C42H63O3P/c1-7-13-19-34-25-28-40(37(31-34)22-16-10-4)43-46(44-41-29-26-35(20-14-8-2)32-38(41)23-17-11-5)45-42-30-27-36(21-15-9-3)33-39(42)24-18-12-6/h25-33H,7-24H2,1-6H3
InChIKeyCFAVHELRAWFONI-UHFFFAOYSA-N
XLogP13.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.94
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dibutylphenyl) dihydrogen phosphite
CID 67509897
(2,4-didecylphenoxy)boronic acid
CID 157267410
bis(2,4-dibutylphenyl) benzene-1,4-dicarboxylate
CID 70631476
(2,4-dibutylphenyl) dihydrogen phosphate
CID 20569368
bis[2,4-di(nonyl)phenyl] carbonate
CID 141039917
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
2,4-dibutyl-1-chlorobenzene
CID 18417644
tris[4-nonyl-2-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite
CID 20502058
(2,4-dibutylphenyl) 3,5-dibutyl-4-hydroxybenzoate
CID 66825236
bis(2,4-dipentylphenyl) benzene-1,4-dicarboxylate
CID 70631411
2,4-dibutyl-N-(2,4-dibutylphenyl)aniline
CID 139628924
[2,4-di(nonyl)phenoxy]-dihydroxy-bis(4-nonylphenyl)-λ5-phosphane
CID 68692606

Frequently Asked Questions

What is the IUPAC name of tris(2,4-dibutylphenyl) phosphite?
The IUPAC name of tris(2,4-dibutylphenyl) phosphite (CID 10974297) is tris(2,4-dibutylphenyl) phosphite.
What is the SMILES notation for tris(2,4-dibutylphenyl) phosphite?
The canonical SMILES for tris(2,4-dibutylphenyl) phosphite is CCCCc1ccc(OP(Oc2ccc(CCCC)cc2CCCC)Oc2ccc(CCCC)cc2CCCC)c(CCCC)c1.
What is the InChIKey of tris(2,4-dibutylphenyl) phosphite?
The InChIKey is CFAVHELRAWFONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H63O3P/c1-7-13-19-34-25-28-40(37(31-34)22-16-10-4)43-46(44-41-29-26-35(20-14-8-2)32-38(41)23-17-11-5)45-42-30-27-36(21-15-9-3)33-39(42)24-18-12-6/h25-33H,7-24H2,1-6H3.
What are the key properties of tris(2,4-dibutylphenyl) phosphite?
tris(2,4-dibutylphenyl) phosphite has a molecular weight of 646.94 g/mol, XLogP of 13.51, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,4-dibutylphenyl) phosphite is sourced from PubChem (CID 10974297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).