tris(2-ethoxyhexyl) phosphite

C24H51O6P — CID 21448822

IUPACtris(2-ethoxyhexyl) phosphite
SMILESCCCCC(COP(OCC(CCCC)OCC)OCC(CCCC)OCC)OCC
InChIInChI=1S/C24H51O6P/c1-7-13-16-22(25-10-4)19-28-31(29-20-23(26-11-5)17-14-8-2)30-21-24(27-12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
InChIKeyXNMZXSSWGCSLCM-UHFFFAOYSA-N
MW466.64 g/mol
LogP7.05
Rot. Bonds24

About tris(2-ethoxyhexyl) phosphite

tris(2-ethoxyhexyl) phosphite (PubChem CID 21448822) has the molecular formula C24H51O6P and a molecular weight of 466.64 g/mol. Its IUPAC name is tris(2-ethoxyhexyl) phosphite.

Molecular Properties

Compound Nametris(2-ethoxyhexyl) phosphite
PubChem CID21448822
Molecular FormulaC24H51O6P
Molecular Weight466.64 g/mol
Exact Mass466.34
IUPAC Nametris(2-ethoxyhexyl) phosphite
SMILESCCCCC(COP(OCC(CCCC)OCC)OCC(CCCC)OCC)OCC
InChIInChI=1S/C24H51O6P/c1-7-13-16-22(25-10-4)19-28-31(29-20-23(26-11-5)17-14-8-2)30-21-24(27-12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
InChIKeyXNMZXSSWGCSLCM-UHFFFAOYSA-N
XLogP7.05
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.64
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxynonane
CID 91187482
9-ethoxyoctadecane
CID 87148376
4-ethoxyoctan-1-ol
CID 21254369
2-ethoxy-1-(2-ethoxyhexylditellanyl)hexane
CID 134824114
nickel;tetrakis(tris(2-ethylhexyl) phosphite)
CID 14475286
1,6-diethoxydecane
CID 150917298
tris(2-hexyldecyl) phosphite
CID 22752938
1,2-dibutoxyhexane
CID 19805858
2-ethoxyoctyl hydrogen carbonate
CID 139923121
2-ethoxy-1-iododecane
CID 13149348
phenyl bis(2-undecoxyundecyl) phosphite
CID 101311877
bis(2-decoxydecyl) phenyl phosphite
CID 101311866

Frequently Asked Questions

What is the IUPAC name of tris(2-ethoxyhexyl) phosphite?
The IUPAC name of tris(2-ethoxyhexyl) phosphite (CID 21448822) is tris(2-ethoxyhexyl) phosphite.
What is the SMILES notation for tris(2-ethoxyhexyl) phosphite?
The canonical SMILES for tris(2-ethoxyhexyl) phosphite is CCCCC(COP(OCC(CCCC)OCC)OCC(CCCC)OCC)OCC.
What is the InChIKey of tris(2-ethoxyhexyl) phosphite?
The InChIKey is XNMZXSSWGCSLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51O6P/c1-7-13-16-22(25-10-4)19-28-31(29-20-23(26-11-5)17-14-8-2)30-21-24(27-12-6)18-15-9-3/h22-24H,7-21H2,1-6H3.
What are the key properties of tris(2-ethoxyhexyl) phosphite?
tris(2-ethoxyhexyl) phosphite has a molecular weight of 466.64 g/mol, XLogP of 7.05, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-ethoxyhexyl) phosphite is sourced from PubChem (CID 21448822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).