phenyl bis(2-undecoxyundecyl) phosphite

C50H95O5P — CID 101311877

IUPACphenyl bis(2-undecoxyundecyl) phosphite
SMILESCCCCCCCCCCCOC(CCCCCCCCC)COP(OCC(CCCCCCCCC)OCCCCCCCCCCC)Oc1ccccc1
InChIInChI=1S/C50H95O5P/c1-5-9-13-17-21-23-27-31-38-44-51-49(42-34-29-25-19-15-11-7-3)46-53-56(55-48-40-36-33-37-41-48)54-47-50(43-35-30-26-20-16-12-8-4)52-45-39-32-28-24-22-18-14-10-6-2/h33,36-37,40-41,49-50H,5-32,34-35,38-39,42-47H2,1-4H3
InChIKeyHMUHQBVYKOVZNE-UHFFFAOYSA-N
MW807.28 g/mol
LogP17.44
Rot. Bonds46

About phenyl bis(2-undecoxyundecyl) phosphite

phenyl bis(2-undecoxyundecyl) phosphite (PubChem CID 101311877) has the molecular formula C50H95O5P and a molecular weight of 807.28 g/mol. Its IUPAC name is phenyl bis(2-undecoxyundecyl) phosphite.

Molecular Properties

Compound Namephenyl bis(2-undecoxyundecyl) phosphite
PubChem CID101311877
Molecular FormulaC50H95O5P
Molecular Weight807.28 g/mol
Exact Mass806.69
IUPAC Namephenyl bis(2-undecoxyundecyl) phosphite
SMILESCCCCCCCCCCCOC(CCCCCCCCC)COP(OCC(CCCCCCCCC)OCCCCCCCCCCC)Oc1ccccc1
InChIInChI=1S/C50H95O5P/c1-5-9-13-17-21-23-27-31-38-44-51-49(42-34-29-25-19-15-11-7-3)46-53-56(55-48-40-36-33-37-41-48)54-47-50(43-35-30-26-20-16-12-8-4)52-45-39-32-28-24-22-18-14-10-6-2/h33,36-37,40-41,49-50H,5-32,34-35,38-39,42-47H2,1-4H3
InChIKeyHMUHQBVYKOVZNE-UHFFFAOYSA-N
XLogP17.44
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds46
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.28
LogP ≤ 517.44
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

bis(2-decoxydecyl) phenyl phosphite
CID 101311866
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 phenyl bis(2-undecoxyundecyl) phosphite?
The IUPAC name of phenyl bis(2-undecoxyundecyl) phosphite (CID 101311877) is phenyl bis(2-undecoxyundecyl) phosphite.
What is the SMILES notation for phenyl bis(2-undecoxyundecyl) phosphite?
The canonical SMILES for phenyl bis(2-undecoxyundecyl) phosphite is CCCCCCCCCCCOC(CCCCCCCCC)COP(OCC(CCCCCCCCC)OCCCCCCCCCCC)Oc1ccccc1.
What is the InChIKey of phenyl bis(2-undecoxyundecyl) phosphite?
The InChIKey is HMUHQBVYKOVZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H95O5P/c1-5-9-13-17-21-23-27-31-38-44-51-49(42-34-29-25-19-15-11-7-3)46-53-56(55-48-40-36-33-37-41-48)54-47-50(43-35-30-26-20-16-12-8-4)52-45-39-32-28-24-22-18-14-10-6-2/h33,36-37,40-41,49-50H,5-32,34-35,38-39,42-47H2,1-4H3.
What are the key properties of phenyl bis(2-undecoxyundecyl) phosphite?
phenyl bis(2-undecoxyundecyl) phosphite has a molecular weight of 807.28 g/mol, XLogP of 17.44, 46 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl bis(2-undecoxyundecyl) phosphite is sourced from PubChem (CID 101311877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).