diphenyl 13-tridecoxytridecyl phosphite

C38H63O4P — CID 101311954

IUPACdiphenyl 13-tridecoxytridecyl phosphite
SMILESCCCCCCCCCCCCCOCCCCCCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C38H63O4P/c1-2-3-4-5-6-7-9-12-15-18-27-34-39-35-28-19-16-13-10-8-11-14-17-20-29-36-40-43(41-37-30-23-21-24-31-37)42-38-32-25-22-26-33-38/h21-26,30-33H,2-20,27-29,34-36H2,1H3
InChIKeyFCADDHYEBAQXAL-UHFFFAOYSA-N
MW614.89 g/mol
LogP13.01
Rot. Bonds31

About diphenyl 13-tridecoxytridecyl phosphite

diphenyl 13-tridecoxytridecyl phosphite (PubChem CID 101311954) has the molecular formula C38H63O4P and a molecular weight of 614.89 g/mol. Its IUPAC name is diphenyl 13-tridecoxytridecyl phosphite.

Molecular Properties

Compound Namediphenyl 13-tridecoxytridecyl phosphite
PubChem CID101311954
Molecular FormulaC38H63O4P
Molecular Weight614.89 g/mol
Exact Mass614.45
IUPAC Namediphenyl 13-tridecoxytridecyl phosphite
SMILESCCCCCCCCCCCCCOCCCCCCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C38H63O4P/c1-2-3-4-5-6-7-9-12-15-18-27-34-39-35-28-19-16-13-10-8-11-14-17-20-29-36-40-43(41-37-30-23-21-24-31-37)42-38-32-25-22-26-33-38/h21-26,30-33H,2-20,27-29,34-36H2,1H3
InChIKeyFCADDHYEBAQXAL-UHFFFAOYSA-N
XLogP13.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds31
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.89
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

diphenyl 11-undecoxyundecyl phosphite
CID 101311931
3-[3-[3-[3-[3-[3-[3-[3-[3-[4-[2-[3-[3-(3-diphenoxyphosphanyloxypropoxy)propoxy]propoxy]ethoxy]butoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl diphenyl phosphite
CID 102006079
cyclohexyl phenyl undecyl phosphite
CID 101312055
8-dodecoxydodecyl diphenyl phosphite
CID 101311946
bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite
CID 54054497
phenyl bis(12-tridecoxytridecyl) phosphite
CID 101311892
phenyl bis(4-tridecoxytridecyl) phosphite
CID 101311900
[2,3-di(nonyl)phenyl] nonyl phenyl phosphite
CID 18964056
octyl bis(4-octylphenyl) phosphite
CID 57093552
diphenyl tridecyl phosphite;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate
CID 159110156
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214

Frequently Asked Questions

What is the IUPAC name of diphenyl 13-tridecoxytridecyl phosphite?
The IUPAC name of diphenyl 13-tridecoxytridecyl phosphite (CID 101311954) is diphenyl 13-tridecoxytridecyl phosphite.
What is the SMILES notation for diphenyl 13-tridecoxytridecyl phosphite?
The canonical SMILES for diphenyl 13-tridecoxytridecyl phosphite is CCCCCCCCCCCCCOCCCCCCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenyl 13-tridecoxytridecyl phosphite?
The InChIKey is FCADDHYEBAQXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H63O4P/c1-2-3-4-5-6-7-9-12-15-18-27-34-39-35-28-19-16-13-10-8-11-14-17-20-29-36-40-43(41-37-30-23-21-24-31-37)42-38-32-25-22-26-33-38/h21-26,30-33H,2-20,27-29,34-36H2,1H3.
What are the key properties of diphenyl 13-tridecoxytridecyl phosphite?
diphenyl 13-tridecoxytridecyl phosphite has a molecular weight of 614.89 g/mol, XLogP of 13.01, 31 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl 13-tridecoxytridecyl phosphite is sourced from PubChem (CID 101311954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).