bis(2-decoxydecyl) phenyl phosphite

C46H87O5P — CID 101311866

IUPACbis(2-decoxydecyl) phenyl phosphite
SMILESCCCCCCCCCCOC(CCCCCCCC)COP(OCC(CCCCCCCC)OCCCCCCCCCC)Oc1ccccc1
InChIInChI=1S/C46H87O5P/c1-5-9-13-17-21-23-27-34-40-47-45(38-30-25-19-15-11-7-3)42-49-52(51-44-36-32-29-33-37-44)50-43-46(39-31-26-20-16-12-8-4)48-41-35-28-24-22-18-14-10-6-2/h29,32-33,36-37,45-46H,5-28,30-31,34-35,38-43H2,1-4H3
InChIKeyRIFSEYBNBGIYTF-UHFFFAOYSA-N
MW751.17 g/mol
LogP15.88
Rot. Bonds42

About bis(2-decoxydecyl) phenyl phosphite

bis(2-decoxydecyl) phenyl phosphite (PubChem CID 101311866) has the molecular formula C46H87O5P and a molecular weight of 751.17 g/mol. Its IUPAC name is bis(2-decoxydecyl) phenyl phosphite.

Molecular Properties

Compound Namebis(2-decoxydecyl) phenyl phosphite
PubChem CID101311866
Molecular FormulaC46H87O5P
Molecular Weight751.17 g/mol
Exact Mass750.63
IUPAC Namebis(2-decoxydecyl) phenyl phosphite
SMILESCCCCCCCCCCOC(CCCCCCCC)COP(OCC(CCCCCCCC)OCCCCCCCCCC)Oc1ccccc1
InChIInChI=1S/C46H87O5P/c1-5-9-13-17-21-23-27-34-40-47-45(38-30-25-19-15-11-7-3)42-49-52(51-44-36-32-29-33-37-44)50-43-46(39-31-26-20-16-12-8-4)48-41-35-28-24-22-18-14-10-6-2/h29,32-33,36-37,45-46H,5-28,30-31,34-35,38-43H2,1-4H3
InChIKeyRIFSEYBNBGIYTF-UHFFFAOYSA-N
XLogP15.88
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds42
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.17
LogP ≤ 515.88
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(2-undecoxyundecyl) phosphite
CID 101311877
diphenyl 2-undecoxyundecyl phosphite
CID 101311940
phenyl bis(4-tridecoxytridecyl) phosphite
CID 101311900
8-dodecoxydodecyl diphenyl phosphite
CID 101311946
phenyl bis(12-tridecoxytridecyl) phosphite
CID 101311892
1-octoxyoctyl diphenyl phosphite
CID 101311911
bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite
CID 54054497
diphenyl 13-tridecoxytridecyl phosphite
CID 101311954
diphenyl 11-undecoxyundecyl phosphite
CID 101311931
tetracosan-8-yloxybenzene
CID 154135377
1-(2-dodecoxydecoxy)dodecane
CID 175347971
6-octoxyundecane
CID 20520524

Frequently Asked Questions

What is the IUPAC name of bis(2-decoxydecyl) phenyl phosphite?
The IUPAC name of bis(2-decoxydecyl) phenyl phosphite (CID 101311866) is bis(2-decoxydecyl) phenyl phosphite.
What is the SMILES notation for bis(2-decoxydecyl) phenyl phosphite?
The canonical SMILES for bis(2-decoxydecyl) phenyl phosphite is CCCCCCCCCCOC(CCCCCCCC)COP(OCC(CCCCCCCC)OCCCCCCCCCC)Oc1ccccc1.
What is the InChIKey of bis(2-decoxydecyl) phenyl phosphite?
The InChIKey is RIFSEYBNBGIYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H87O5P/c1-5-9-13-17-21-23-27-34-40-47-45(38-30-25-19-15-11-7-3)42-49-52(51-44-36-32-29-33-37-44)50-43-46(39-31-26-20-16-12-8-4)48-41-35-28-24-22-18-14-10-6-2/h29,32-33,36-37,45-46H,5-28,30-31,34-35,38-43H2,1-4H3.
What are the key properties of bis(2-decoxydecyl) phenyl phosphite?
bis(2-decoxydecyl) phenyl phosphite has a molecular weight of 751.17 g/mol, XLogP of 15.88, 42 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-decoxydecyl) phenyl phosphite is sourced from PubChem (CID 101311866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).