tris(2-ethylhexyl) phosphite

C24H51O3P — CID 9320

IUPACtris(2-ethylhexyl) phosphite
SMILESCCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC
InChIInChI=1S/C24H51O3P/c1-7-13-16-22(10-4)19-25-28(26-20-23(11-5)17-14-8-2)27-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
InChIKeyILLOBGFGKYTZRO-UHFFFAOYSA-N
MW418.64 g/mol
LogP8.91
Rot. Bonds21

About tris(2-ethylhexyl) phosphite

tris(2-ethylhexyl) phosphite (PubChem CID 9320) has the molecular formula C24H51O3P and a molecular weight of 418.64 g/mol. Its IUPAC name is tris(2-ethylhexyl) phosphite.

Molecular Properties

Compound Nametris(2-ethylhexyl) phosphite
PubChem CID9320
Molecular FormulaC24H51O3P
Molecular Weight418.64 g/mol
Exact Mass418.36
IUPAC Nametris(2-ethylhexyl) phosphite
SMILESCCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC
InChIInChI=1S/C24H51O3P/c1-7-13-16-22(10-4)19-25-28(26-20-23(11-5)17-14-8-2)27-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
InChIKeyILLOBGFGKYTZRO-UHFFFAOYSA-N
XLogP8.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.64
LogP ≤ 58.91
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

Tris(2-ethylhexyl) phosphate
CID 6537
Bis(2-ethylhexyl) phosphate
CID 9275
Bis(2-ethylhexyl) hydrogen phosphite
CID 6327514
Triisotridecyl phosphite
CID 22630279
Triisooctylphosphite
CID 90714
Triisodecyl phosphite
CID 117488
Bis(2-ethylhexyl) 2-ethylhexylphosphonate
CID 78952
Bis(2-ethylhexyl) phosphorodithioate
CID 22062
2-Ethylhexyl phosphonic acid mono-2-ethylhexyl ester
CID 85771
Bis(2-ethylhexyl) sodium phosphate
CID 23683737
O-(2-Ethylhexyl) o-isobutyl dithiophosphate
CID 111360
Diisooctyl dithiophosphate
CID 117907

Frequently Asked Questions

What is the IUPAC name of tris(2-ethylhexyl) phosphite?
The IUPAC name of tris(2-ethylhexyl) phosphite (CID 9320) is tris(2-ethylhexyl) phosphite.
What is the SMILES notation for tris(2-ethylhexyl) phosphite?
The canonical SMILES for tris(2-ethylhexyl) phosphite is CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.
What is the InChIKey of tris(2-ethylhexyl) phosphite?
The InChIKey is ILLOBGFGKYTZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51O3P/c1-7-13-16-22(10-4)19-25-28(26-20-23(11-5)17-14-8-2)27-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3.
What are the key properties of tris(2-ethylhexyl) phosphite?
tris(2-ethylhexyl) phosphite has a molecular weight of 418.64 g/mol, XLogP of 8.91, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-ethylhexyl) phosphite is sourced from PubChem (CID 9320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).