diphenyl 2-undecoxyundecyl phosphite

C34H55O4P — CID 101311940

IUPACdiphenyl 2-undecoxyundecyl phosphite
SMILESCCCCCCCCCCCOC(CCCCCCCCC)COP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C34H55O4P/c1-3-5-7-9-11-12-14-16-24-30-35-34(29-19-15-13-10-8-6-4-2)31-36-39(37-32-25-20-17-21-26-32)38-33-27-22-18-23-28-33/h17-18,20-23,25-28,34H,3-16,19,24,29-31H2,1-2H3
InChIKeyNKGPCFAPUYJKKQ-UHFFFAOYSA-N
MW558.78 g/mol
LogP11.44
Rot. Bonds26

About diphenyl 2-undecoxyundecyl phosphite

diphenyl 2-undecoxyundecyl phosphite (PubChem CID 101311940) has the molecular formula C34H55O4P and a molecular weight of 558.78 g/mol. Its IUPAC name is diphenyl 2-undecoxyundecyl phosphite.

Molecular Properties

Compound Namediphenyl 2-undecoxyundecyl phosphite
PubChem CID101311940
Molecular FormulaC34H55O4P
Molecular Weight558.78 g/mol
Exact Mass558.38
IUPAC Namediphenyl 2-undecoxyundecyl phosphite
SMILESCCCCCCCCCCCOC(CCCCCCCCC)COP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C34H55O4P/c1-3-5-7-9-11-12-14-16-24-30-35-34(29-19-15-13-10-8-6-4-2)31-36-39(37-32-25-20-17-21-26-32)38-33-27-22-18-23-28-33/h17-18,20-23,25-28,34H,3-16,19,24,29-31H2,1-2H3
InChIKeyNKGPCFAPUYJKKQ-UHFFFAOYSA-N
XLogP11.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.78
LogP ≤ 511.44
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

phenyl bis(2-undecoxyundecyl) phosphite
CID 101311877
bis(2-decoxydecyl) phenyl phosphite
CID 101311866
8-dodecoxydodecyl diphenyl phosphite
CID 101311946
phenyl bis(4-tridecoxytridecyl) phosphite
CID 101311900
1-octoxyoctyl diphenyl phosphite
CID 101311911
phenyl bis(12-tridecoxytridecyl) phosphite
CID 101311892
diphenyl 11-undecoxyundecyl phosphite
CID 101311931
diphenyl 13-tridecoxytridecyl phosphite
CID 101311954
bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite
CID 54054497
tetracosan-8-yloxybenzene
CID 154135377
1-(2-dodecoxydecoxy)dodecane
CID 175347971
6-octoxyundecane
CID 20520524

Frequently Asked Questions

What is the IUPAC name of diphenyl 2-undecoxyundecyl phosphite?
The IUPAC name of diphenyl 2-undecoxyundecyl phosphite (CID 101311940) is diphenyl 2-undecoxyundecyl phosphite.
What is the SMILES notation for diphenyl 2-undecoxyundecyl phosphite?
The canonical SMILES for diphenyl 2-undecoxyundecyl phosphite is CCCCCCCCCCCOC(CCCCCCCCC)COP(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenyl 2-undecoxyundecyl phosphite?
The InChIKey is NKGPCFAPUYJKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H55O4P/c1-3-5-7-9-11-12-14-16-24-30-35-34(29-19-15-13-10-8-6-4-2)31-36-39(37-32-25-20-17-21-26-32)38-33-27-22-18-23-28-33/h17-18,20-23,25-28,34H,3-16,19,24,29-31H2,1-2H3.
What are the key properties of diphenyl 2-undecoxyundecyl phosphite?
diphenyl 2-undecoxyundecyl phosphite has a molecular weight of 558.78 g/mol, XLogP of 11.44, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl 2-undecoxyundecyl phosphite is sourced from PubChem (CID 101311940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).