didecyl phenyl phosphite

C26H47O3P — CID 14741

IUPACdidecyl phenyl phosphite
SMILESCCCCCCCCCCOP(OCCCCCCCCCC)Oc1ccccc1
InChIInChI=1S/C26H47O3P/c1-3-5-7-9-11-13-15-20-24-27-30(29-26-22-18-17-19-23-26)28-25-21-16-14-12-10-8-6-4-2/h17-19,22-23H,3-16,20-21,24-25H2,1-2H3
InChIKeyNMAKPIATXQEXBT-UHFFFAOYSA-N
MW438.63 g/mol
LogP9.61
Rot. Bonds22

About didecyl phenyl phosphite

didecyl phenyl phosphite (PubChem CID 14741) has the molecular formula C26H47O3P and a molecular weight of 438.63 g/mol. Its IUPAC name is didecyl phenyl phosphite.

Molecular Properties

Compound Namedidecyl phenyl phosphite
PubChem CID14741
Molecular FormulaC26H47O3P
Molecular Weight438.63 g/mol
Exact Mass438.33
IUPAC Namedidecyl phenyl phosphite
SMILESCCCCCCCCCCOP(OCCCCCCCCCC)Oc1ccccc1
InChIInChI=1S/C26H47O3P/c1-3-5-7-9-11-13-15-20-24-27-30(29-26-22-18-17-19-23-26)28-25-21-16-14-12-10-8-6-4-2/h17-19,22-23H,3-16,20-21,24-25H2,1-2H3
InChIKeyNMAKPIATXQEXBT-UHFFFAOYSA-N
XLogP9.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.63
LogP ≤ 59.61
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

Isodecyl diphenyl phosphate
CID 34697
Dibutyl phenyl phosphate
CID 17312
5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane
CID 76464
Phosphorous acid, diisodecyl phenyl ester
CID 16212880
Diphenyl octyl phosphate
CID 8290
Diphenyl isodecyl phosphite
CID 9951488
Phosphorous acid, 2-ethylhexyl diphenyl ester
CID 85888
Bis(2-ethylhexyl) phenyl phosphate
CID 85990
Dietholate
CID 36106
Butyl diphenyl phosphate
CID 17682
Phenyl propan-2-yl hydrogen phosphate
CID 93246
Diisodecyl phenyl phosphate
CID 39995

Frequently Asked Questions

What is the IUPAC name of didecyl phenyl phosphite?
The IUPAC name of didecyl phenyl phosphite (CID 14741) is didecyl phenyl phosphite.
What is the SMILES notation for didecyl phenyl phosphite?
The canonical SMILES for didecyl phenyl phosphite is CCCCCCCCCCOP(OCCCCCCCCCC)Oc1ccccc1.
What is the InChIKey of didecyl phenyl phosphite?
The InChIKey is NMAKPIATXQEXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47O3P/c1-3-5-7-9-11-13-15-20-24-27-30(29-26-22-18-17-19-23-26)28-25-21-16-14-12-10-8-6-4-2/h17-19,22-23H,3-16,20-21,24-25H2,1-2H3.
What are the key properties of didecyl phenyl phosphite?
didecyl phenyl phosphite has a molecular weight of 438.63 g/mol, XLogP of 9.61, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for didecyl phenyl phosphite is sourced from PubChem (CID 14741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).