bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane

C24H45O4P3 — CID 102211792

IUPACbis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane
SMILESCC(C)OP(CCCP(CCCP(OC(C)C)OC(C)C)c1ccccc1)OC(C)C
InChIInChI=1S/C24H45O4P3/c1-20(2)25-30(26-21(3)4)18-12-16-29(24-14-10-9-11-15-24)17-13-19-31(27-22(5)6)28-23(7)8/h9-11,14-15,20-23H,12-13,16-19H2,1-8H3
InChIKeyDJESVQWRFIMFMD-UHFFFAOYSA-N
MW490.54 g/mol
LogP7.90
Rot. Bonds17

About bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane

bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane (PubChem CID 102211792) has the molecular formula C24H45O4P3 and a molecular weight of 490.54 g/mol. Its IUPAC name is bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane.

Molecular Properties

Compound Namebis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane
PubChem CID102211792
Molecular FormulaC24H45O4P3
Molecular Weight490.54 g/mol
Exact Mass490.25
IUPAC Namebis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane
SMILESCC(C)OP(CCCP(CCCP(OC(C)C)OC(C)C)c1ccccc1)OC(C)C
InChIInChI=1S/C24H45O4P3/c1-20(2)25-30(26-21(3)4)18-12-16-29(24-14-10-9-11-15-24)17-13-19-31(27-22(5)6)28-23(7)8/h9-11,14-15,20-23H,12-13,16-19H2,1-8H3
InChIKeyDJESVQWRFIMFMD-UHFFFAOYSA-N
XLogP7.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.54
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dipentyl(phenyl)phosphane
CID 3085487
bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane
CID 58654516
3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol
CID 14871357
2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 102487174
3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine
CID 12578065
diphenyl-[3-[phenyl(2-triethoxysilylethyl)phosphanyl]propyl]phosphane
CID 11181263
ethyl-[2-[ethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 22760091
2-[2-(dimethylamino)ethyl-phenylphosphanyl]-N,N-dimethylethanamine
CID 70119668
di(propan-2-yloxy)-propylphosphane
CID 57116062
diphenyl(1-phenylpropan-2-yloxy)phosphane
CID 86075511
3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane
CID 15770151
hexadecyl(phenyl)phosphinous acid
CID 22292084

Frequently Asked Questions

What is the IUPAC name of bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane?
The IUPAC name of bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane (CID 102211792) is bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane.
What is the SMILES notation for bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane?
The canonical SMILES for bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane is CC(C)OP(CCCP(CCCP(OC(C)C)OC(C)C)c1ccccc1)OC(C)C.
What is the InChIKey of bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane?
The InChIKey is DJESVQWRFIMFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45O4P3/c1-20(2)25-30(26-21(3)4)18-12-16-29(24-14-10-9-11-15-24)17-13-19-31(27-22(5)6)28-23(7)8/h9-11,14-15,20-23H,12-13,16-19H2,1-8H3.
What are the key properties of bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane?
bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane has a molecular weight of 490.54 g/mol, XLogP of 7.90, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane is sourced from PubChem (CID 102211792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).