diphenyl 11-undecoxyundecyl phosphite

C34H55O4P — CID 101311931

IUPACdiphenyl 11-undecoxyundecyl phosphite
SMILESCCCCCCCCCCCOCCCCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C34H55O4P/c1-2-3-4-5-6-8-11-14-23-30-35-31-24-15-12-9-7-10-13-16-25-32-36-39(37-33-26-19-17-20-27-33)38-34-28-21-18-22-29-34/h17-22,26-29H,2-16,23-25,30-32H2,1H3
InChIKeyBIMRIOKOBXGLCX-UHFFFAOYSA-N
MW558.78 g/mol
LogP11.45
Rot. Bonds27

About diphenyl 11-undecoxyundecyl phosphite

diphenyl 11-undecoxyundecyl phosphite (PubChem CID 101311931) has the molecular formula C34H55O4P and a molecular weight of 558.78 g/mol. Its IUPAC name is diphenyl 11-undecoxyundecyl phosphite.

Molecular Properties

Compound Namediphenyl 11-undecoxyundecyl phosphite
PubChem CID101311931
Molecular FormulaC34H55O4P
Molecular Weight558.78 g/mol
Exact Mass558.38
IUPAC Namediphenyl 11-undecoxyundecyl phosphite
SMILESCCCCCCCCCCCOCCCCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C34H55O4P/c1-2-3-4-5-6-8-11-14-23-30-35-31-24-15-12-9-7-10-13-16-25-32-36-39(37-33-26-19-17-20-27-33)38-34-28-21-18-22-29-34/h17-22,26-29H,2-16,23-25,30-32H2,1H3
InChIKeyBIMRIOKOBXGLCX-UHFFFAOYSA-N
XLogP11.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.78
LogP ≤ 511.45
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 13-tridecoxytridecyl phosphite
CID 101311954
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 11-undecoxyundecyl phosphite?
The IUPAC name of diphenyl 11-undecoxyundecyl phosphite (CID 101311931) is diphenyl 11-undecoxyundecyl phosphite.
What is the SMILES notation for diphenyl 11-undecoxyundecyl phosphite?
The canonical SMILES for diphenyl 11-undecoxyundecyl phosphite is CCCCCCCCCCCOCCCCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenyl 11-undecoxyundecyl phosphite?
The InChIKey is BIMRIOKOBXGLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H55O4P/c1-2-3-4-5-6-8-11-14-23-30-35-31-24-15-12-9-7-10-13-16-25-32-36-39(37-33-26-19-17-20-27-33)38-34-28-21-18-22-29-34/h17-22,26-29H,2-16,23-25,30-32H2,1H3.
What are the key properties of diphenyl 11-undecoxyundecyl phosphite?
diphenyl 11-undecoxyundecyl phosphite has a molecular weight of 558.78 g/mol, XLogP of 11.45, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl 11-undecoxyundecyl phosphite is sourced from PubChem (CID 101311931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).