1-octoxyoctyl diphenyl phosphite

C28H43O4P — CID 101311911

IUPAC1-octoxyoctyl diphenyl phosphite
SMILESCCCCCCCCOC(CCCCCCC)OP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C28H43O4P/c1-3-5-7-9-11-19-25-29-28(24-18-10-8-6-4-2)32-33(30-26-20-14-12-15-21-26)31-27-22-16-13-17-23-27/h12-17,20-23,28H,3-11,18-19,24-25H2,1-2H3
InChIKeyKYEGRGSCHBOMIF-UHFFFAOYSA-N
MW474.62 g/mol
LogP9.45
Rot. Bonds20

About 1-octoxyoctyl diphenyl phosphite

1-octoxyoctyl diphenyl phosphite (PubChem CID 101311911) has the molecular formula C28H43O4P and a molecular weight of 474.62 g/mol. Its IUPAC name is 1-octoxyoctyl diphenyl phosphite.

Molecular Properties

Compound Name1-octoxyoctyl diphenyl phosphite
PubChem CID101311911
Molecular FormulaC28H43O4P
Molecular Weight474.62 g/mol
Exact Mass474.29
IUPAC Name1-octoxyoctyl diphenyl phosphite
SMILESCCCCCCCCOC(CCCCCCC)OP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C28H43O4P/c1-3-5-7-9-11-19-25-29-28(24-18-10-8-6-4-2)32-33(30-26-20-14-12-15-21-26)31-27-22-16-13-17-23-27/h12-17,20-23,28H,3-11,18-19,24-25H2,1-2H3
InChIKeyKYEGRGSCHBOMIF-UHFFFAOYSA-N
XLogP9.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.62
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

phenyl bis(2-undecoxyundecyl) phosphite
CID 101311877
diphenyl 2-undecoxyundecyl phosphite
CID 101311940
bis(2-decoxydecyl) phenyl phosphite
CID 101311866
phenyl bis(12-tridecoxytridecyl) phosphite
CID 101311892
8-dodecoxydodecyl diphenyl phosphite
CID 101311946
phenyl bis(4-tridecoxytridecyl) phosphite
CID 101311900
diphenyl 13-tridecoxytridecyl phosphite
CID 101311954
diphenyl 11-undecoxyundecyl phosphite
CID 101311931
2,2-di(undecoxy)ethylbenzene
CID 3023162
[(E)-11,11-diheptoxyundec-4-enyl]-triphenylphosphanium
CID 175312666
1-dodecoxyhexylbenzene
CID 174774790
11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride
CID 175312709

Frequently Asked Questions

What is the IUPAC name of 1-octoxyoctyl diphenyl phosphite?
The IUPAC name of 1-octoxyoctyl diphenyl phosphite (CID 101311911) is 1-octoxyoctyl diphenyl phosphite.
What is the SMILES notation for 1-octoxyoctyl diphenyl phosphite?
The canonical SMILES for 1-octoxyoctyl diphenyl phosphite is CCCCCCCCOC(CCCCCCC)OP(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 1-octoxyoctyl diphenyl phosphite?
The InChIKey is KYEGRGSCHBOMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43O4P/c1-3-5-7-9-11-19-25-29-28(24-18-10-8-6-4-2)32-33(30-26-20-14-12-15-21-26)31-27-22-16-13-17-23-27/h12-17,20-23,28H,3-11,18-19,24-25H2,1-2H3.
What are the key properties of 1-octoxyoctyl diphenyl phosphite?
1-octoxyoctyl diphenyl phosphite has a molecular weight of 474.62 g/mol, XLogP of 9.45, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octoxyoctyl diphenyl phosphite is sourced from PubChem (CID 101311911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).