tridodecoxy-dodecyl-[4-(2-phenylpropan-2-yl)phenyl]-lambda5-phosphane

C63H115O3P — CID 19601311

IUPACtridodecoxy-dodecyl-[4-(2-phenylpropan-2-yl)phenyl]-lambda5-phosphane
SMILESCCCCCCCCCCCCOP(CCCCCCCCCCCC)(OCCCCCCCCCCCC)(OCCCCCCCCCCCC)c1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C63H115O3P/c1-7-11-15-19-23-27-31-35-39-46-56-64-67(59-49-42-38-34-30-26-22-18-14-10-4,65-57-47-40-36-32-28-24-20-16-12-8-2,66-58-48-41-37-33-29-25-21-17-13-9-3)62-54-52-61(53-55-62)63(5,6)60-50-44-43-45-51-60/h43-45,50-55H,7-42,46-49,56-59H2,1-6H3
InChIKeyIFCXUKBDMFVUJU-UHFFFAOYSA-N
MW951.58 g/mol
LogP21.67
Rot. Bonds50

About tridodecoxy-dodecyl-[4-(2-phenylpropan-2-yl)phenyl]-lambda5-phosphane

tridodecoxy-dodecyl-[4-(2-phenylpropan-2-yl)phenyl]-lambda5-phosphane (PubChem CID 19601311) has the molecular formula C63H115O3P and a molecular weight of 951.58 g/mol. Its IUPAC name is tridodecoxy-dodecyl-[4-(2-phenylpropan-2-yl)phenyl]-lambda5-phosphane.

Molecular Properties

Compound Nametridodecoxy-dodecyl-[4-(2-phenylpropan-2-yl)phenyl]-lambda5-phosphane
PubChem CID19601311
Molecular FormulaC63H115O3P
Molecular Weight951.58 g/mol
Exact Mass950.86
IUPAC Nametridodecoxy-dodecyl-[4-(2-phenylpropan-2-yl)phenyl]-lambda5-phosphane
SMILESCCCCCCCCCCCCOP(CCCCCCCCCCCC)(OCCCCCCCCCCCC)(OCCCCCCCCCCCC)c1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C63H115O3P/c1-7-11-15-19-23-27-31-35-39-46-56-64-67(59-49-42-38-34-30-26-22-18-14-10-4,65-57-47-40-36-32-28-24-20-16-12-8-2,66-58-48-41-37-33-29-25-21-17-13-9-3)62-54-52-61(53-55-62)63(5,6)60-50-44-43-45-51-60/h43-45,50-55H,7-42,46-49,56-59H2,1-6H3
InChIKeyIFCXUKBDMFVUJU-UHFFFAOYSA-N
XLogP21.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds50
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.58
LogP ≤ 521.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

dihydroxy-octoxy-octyl-phenyl-λ5-phosphane
CID 141124882
dimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane
CID 91745154
[(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane
CID 58388385
tert-butylbenzene;hexane
CID 175254424
1-heptoxy-4-[(4-heptoxyphenyl)-diphenylmethyl]benzene
CID 118498507
1-octadecoxy-1-phenylethanol
CID 175437177
[(E)-octadec-9-enyl] bis[4-(2-phenylpropan-2-yl)phenyl] phosphite
CID 126572970
(5-heptoxy-2-methylpentan-2-yl)benzene
CID 143912410
hexyl 2-hydroxy-4,4-dimethyl-2-phenylpentanoate
CID 141071609
4-nonylphenol;4-(2-phenylpropan-2-yl)phenol
CID 19993999
N-bis(decylsulfanyl)phosphanyl-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
CID 142414401
1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene
CID 123210298

Frequently Asked Questions

What is the IUPAC name of tridodecoxy-dodecyl-[4-(2-phenylpropan-2-yl)phenyl]-lambda5-phosphane?
The IUPAC name of tridodecoxy-dodecyl-[4-(2-phenylpropan-2-yl)phenyl]-lambda5-phosphane (CID 19601311) is tridodecoxy-dodecyl-[4-(2-phenylpropan-2-yl)phenyl]-lambda5-phosphane.
What is the SMILES notation for tridodecoxy-dodecyl-[4-(2-phenylpropan-2-yl)phenyl]-lambda5-phosphane?
The canonical SMILES for tridodecoxy-dodecyl-[4-(2-phenylpropan-2-yl)phenyl]-lambda5-phosphane is CCCCCCCCCCCCOP(CCCCCCCCCCCC)(OCCCCCCCCCCCC)(OCCCCCCCCCCCC)c1ccc(C(C)(C)c2ccccc2)cc1.
What is the InChIKey of tridodecoxy-dodecyl-[4-(2-phenylpropan-2-yl)phenyl]-lambda5-phosphane?
The InChIKey is IFCXUKBDMFVUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H115O3P/c1-7-11-15-19-23-27-31-35-39-46-56-64-67(59-49-42-38-34-30-26-22-18-14-10-4,65-57-47-40-36-32-28-24-20-16-12-8-2,66-58-48-41-37-33-29-25-21-17-13-9-3)62-54-52-61(53-55-62)63(5,6)60-50-44-43-45-51-60/h43-45,50-55H,7-42,46-49,56-59H2,1-6H3.
What are the key properties of tridodecoxy-dodecyl-[4-(2-phenylpropan-2-yl)phenyl]-lambda5-phosphane?
tridodecoxy-dodecyl-[4-(2-phenylpropan-2-yl)phenyl]-lambda5-phosphane has a molecular weight of 951.58 g/mol, XLogP of 21.67, 50 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tridodecoxy-dodecyl-[4-(2-phenylpropan-2-yl)phenyl]-lambda5-phosphane is sourced from PubChem (CID 19601311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).