phenyl bis(12-tridecoxytridecyl) phosphite

C58H111O5P — CID 101311892

IUPACphenyl bis(12-tridecoxytridecyl) phosphite
SMILESCCCCCCCCCCCCCOC(C)CCCCCCCCCCCOP(OCCCCCCCCCCCC(C)OCCCCCCCCCCCCC)Oc1ccccc1
InChIInChI=1S/C58H111O5P/c1-5-7-9-11-13-15-17-23-29-35-44-52-59-56(3)48-40-33-27-21-19-25-31-37-46-54-61-64(63-58-50-42-39-43-51-58)62-55-47-38-32-26-20-22-28-34-41-49-57(4)60-53-45-36-30-24-18-16-14-12-10-8-6-2/h39,42-43,50-51,56-57H,5-38,40-41,44-49,52-55H2,1-4H3
InChIKeyFSMLZZQLDJANNL-UHFFFAOYSA-N
MW919.49 g/mol
LogP20.56
Rot. Bonds54

About phenyl bis(12-tridecoxytridecyl) phosphite

phenyl bis(12-tridecoxytridecyl) phosphite (PubChem CID 101311892) has the molecular formula C58H111O5P and a molecular weight of 919.49 g/mol. Its IUPAC name is phenyl bis(12-tridecoxytridecyl) phosphite.

Molecular Properties

Compound Namephenyl bis(12-tridecoxytridecyl) phosphite
PubChem CID101311892
Molecular FormulaC58H111O5P
Molecular Weight919.49 g/mol
Exact Mass918.82
IUPAC Namephenyl bis(12-tridecoxytridecyl) phosphite
SMILESCCCCCCCCCCCCCOC(C)CCCCCCCCCCCOP(OCCCCCCCCCCCC(C)OCCCCCCCCCCCCC)Oc1ccccc1
InChIInChI=1S/C58H111O5P/c1-5-7-9-11-13-15-17-23-29-35-44-52-59-56(3)48-40-33-27-21-19-25-31-37-46-54-61-64(63-58-50-42-39-43-51-58)62-55-47-38-32-26-20-22-28-34-41-49-57(4)60-53-45-36-30-24-18-16-14-12-10-8-6-2/h39,42-43,50-51,56-57H,5-38,40-41,44-49,52-55H2,1-4H3
InChIKeyFSMLZZQLDJANNL-UHFFFAOYSA-N
XLogP20.56
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds54
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.49
LogP ≤ 520.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

phenyl bis(4-tridecoxytridecyl) phosphite
CID 101311900
8-dodecoxydodecyl diphenyl phosphite
CID 101311946
phenyl bis(2-undecoxyundecyl) phosphite
CID 101311877
bis(2-decoxydecyl) phenyl phosphite
CID 101311866
1-octoxyoctyl diphenyl phosphite
CID 101311911
diphenyl 2-undecoxyundecyl phosphite
CID 101311940
diphenyl 11-undecoxyundecyl phosphite
CID 101311931
diphenyl 13-tridecoxytridecyl phosphite
CID 101311954
1-octan-2-yloxydecane
CID 86220707
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
1-nonan-2-yloxyoctadecane
CID 88815684

Frequently Asked Questions

What is the IUPAC name of phenyl bis(12-tridecoxytridecyl) phosphite?
The IUPAC name of phenyl bis(12-tridecoxytridecyl) phosphite (CID 101311892) is phenyl bis(12-tridecoxytridecyl) phosphite.
What is the SMILES notation for phenyl bis(12-tridecoxytridecyl) phosphite?
The canonical SMILES for phenyl bis(12-tridecoxytridecyl) phosphite is CCCCCCCCCCCCCOC(C)CCCCCCCCCCCOP(OCCCCCCCCCCCC(C)OCCCCCCCCCCCCC)Oc1ccccc1.
What is the InChIKey of phenyl bis(12-tridecoxytridecyl) phosphite?
The InChIKey is FSMLZZQLDJANNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H111O5P/c1-5-7-9-11-13-15-17-23-29-35-44-52-59-56(3)48-40-33-27-21-19-25-31-37-46-54-61-64(63-58-50-42-39-43-51-58)62-55-47-38-32-26-20-22-28-34-41-49-57(4)60-53-45-36-30-24-18-16-14-12-10-8-6-2/h39,42-43,50-51,56-57H,5-38,40-41,44-49,52-55H2,1-4H3.
What are the key properties of phenyl bis(12-tridecoxytridecyl) phosphite?
phenyl bis(12-tridecoxytridecyl) phosphite has a molecular weight of 919.49 g/mol, XLogP of 20.56, 54 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl bis(12-tridecoxytridecyl) phosphite is sourced from PubChem (CID 101311892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).