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

C66H104O19P2 — CID 102006079

IUPAC3-[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
SMILESc1ccc(OP(OCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCCOCCOCCCOCCCOCCCOP(Oc2ccccc2)Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C66H104O19P2/c1-5-27-63(28-6-1)82-86(83-64-29-7-2-8-30-64)80-59-25-57-76-53-22-51-74-50-21-49-73-48-20-47-72-46-19-45-71-44-18-43-70-42-17-41-69-40-16-39-68-38-15-37-67-35-13-14-36-78-61-62-79-56-24-55-75-52-23-54-77-58-26-60-81-87(84-65-31-9-3-10-32-65)85-66-33-11-4-12-34-66/h1-12,27-34H,13-26,35-62H2
InChIKeyYTVBVOJGJCEZEF-UHFFFAOYSA-N
MW1263.49 g/mol
LogP13.47
Rot. Bonds66

About 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

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 (PubChem CID 102006079) has the molecular formula C66H104O19P2 and a molecular weight of 1263.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID102006079
Molecular FormulaC66H104O19P2
Molecular Weight1263.49 g/mol
Exact Mass1262.66
IUPAC Name3-[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
SMILESc1ccc(OP(OCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCCOCCOCCCOCCCOCCCOP(Oc2ccccc2)Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C66H104O19P2/c1-5-27-63(28-6-1)82-86(83-64-29-7-2-8-30-64)80-59-25-57-76-53-22-51-74-50-21-49-73-48-20-47-72-46-19-45-71-44-18-43-70-42-17-41-69-40-16-39-68-38-15-37-67-35-13-14-36-78-61-62-79-56-24-55-75-52-23-54-77-58-26-60-81-87(84-65-31-9-3-10-32-65)85-66-33-11-4-12-34-66/h1-12,27-34H,13-26,35-62H2
InChIKeyYTVBVOJGJCEZEF-UHFFFAOYSA-N
XLogP13.47
TPSA175.37 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds66
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001263.49
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

diphenyl 11-undecoxyundecyl phosphite
CID 101311931
diphenyl 13-tridecoxytridecyl phosphite
CID 101311954
diphenoxyphosphanyloxymethyl diphenyl phosphite
CID 171611986
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
tri(113C)cyclohexatrienyl phosphite
CID 101432390
triphenyl phosphite
CID 7540
cyclohexyl phenyl undecyl phosphite
CID 101312055
8-dodecoxydodecyl diphenyl phosphite
CID 101311946
diethoxy phenyl phosphite
CID 150732863
bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite
CID 54054497
phenyl bis(12-tridecoxytridecyl) phosphite
CID 101311892
phenyl bis(4-tridecoxytridecyl) phosphite
CID 101311900

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(OP(OCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCCOCCOCCCOCCCOCCCOP(Oc2ccccc2)Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is YTVBVOJGJCEZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H104O19P2/c1-5-27-63(28-6-1)82-86(83-64-29-7-2-8-30-64)80-59-25-57-76-53-22-51-74-50-21-49-73-48-20-47-72-46-19-45-71-44-18-43-70-42-17-41-69-40-16-39-68-38-15-37-67-35-13-14-36-78-61-62-79-56-24-55-75-52-23-54-77-58-26-60-81-87(84-65-31-9-3-10-32-65)85-66-33-11-4-12-34-66/h1-12,27-34H,13-26,35-62H2.
What are the key properties of 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?
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 has a molecular weight of 1263.49 g/mol, XLogP of 13.47, 66 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102006079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).