tris(1-diethoxyphosphorylethoxy)-phenylgermane

C24H47GeO12P3 — CID 23412737

IUPACtris(1-diethoxyphosphorylethoxy)-phenylgermane
SMILESCCOP(=O)(OCC)C(C)O[Ge](OC(C)P(=O)(OCC)OCC)(OC(C)P(=O)(OCC)OCC)c1ccccc1
InChIInChI=1S/C24H47GeO12P3/c1-10-29-38(26,30-11-2)21(7)35-25(24-19-17-16-18-20-24,36-22(8)39(27,31-12-3)32-13-4)37-23(9)40(28,33-14-5)34-15-6/h16-23H,10-15H2,1-9H3
InChIKeyYBPHZYBXWAGDBQ-UHFFFAOYSA-N
MW693.16 g/mol
LogP6.72
Rot. Bonds22

About tris(1-diethoxyphosphorylethoxy)-phenylgermane

tris(1-diethoxyphosphorylethoxy)-phenylgermane (PubChem CID 23412737) has the molecular formula C24H47GeO12P3 and a molecular weight of 693.16 g/mol. Its IUPAC name is tris(1-diethoxyphosphorylethoxy)-phenylgermane.

Molecular Properties

Compound Nametris(1-diethoxyphosphorylethoxy)-phenylgermane
PubChem CID23412737
Molecular FormulaC24H47GeO12P3
Molecular Weight693.16 g/mol
Exact Mass694.15
IUPAC Nametris(1-diethoxyphosphorylethoxy)-phenylgermane
SMILESCCOP(=O)(OCC)C(C)O[Ge](OC(C)P(=O)(OCC)OCC)(OC(C)P(=O)(OCC)OCC)c1ccccc1
InChIInChI=1S/C24H47GeO12P3/c1-10-29-38(26,30-11-2)21(7)35-25(24-19-17-16-18-20-24,36-22(8)39(27,31-12-3)32-13-4)37-23(9)40(28,33-14-5)34-15-6/h16-23H,10-15H2,1-9H3
InChIKeyYBPHZYBXWAGDBQ-UHFFFAOYSA-N
XLogP6.72
TPSA134.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500693.16
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

bis(diethoxyphosphoryl)methylbenzene
CID 11132243
[(1R)-1-diethoxyphosphorylethyl] benzoate
CID 101479504
(1R)-2-(benzylamino)-1-diethoxyphosphorylethanol
CID 10968155
1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
4,4-bis(diethoxyphosphoryl)butylbenzene
CID 10150860
[diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene
CID 11059605
(1-diethoxyphosphoryl-2-nitropropyl)benzene
CID 10017727
N-benzyl-1-diethoxyphosphorylpropan-1-amine
CID 71361859
[diethoxyphosphoryl(methylsulfonyl)methyl]benzene
CID 14930742
2-diethoxyphosphoryl-2-phenylethanamine
CID 14418072
N-(3-diethoxyphosphoryl-1,1,1-trifluorobutan-2-yl)aniline
CID 15184968
[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene
CID 10449767

Frequently Asked Questions

What is the IUPAC name of tris(1-diethoxyphosphorylethoxy)-phenylgermane?
The IUPAC name of tris(1-diethoxyphosphorylethoxy)-phenylgermane (CID 23412737) is tris(1-diethoxyphosphorylethoxy)-phenylgermane.
What is the SMILES notation for tris(1-diethoxyphosphorylethoxy)-phenylgermane?
The canonical SMILES for tris(1-diethoxyphosphorylethoxy)-phenylgermane is CCOP(=O)(OCC)C(C)O[Ge](OC(C)P(=O)(OCC)OCC)(OC(C)P(=O)(OCC)OCC)c1ccccc1.
What is the InChIKey of tris(1-diethoxyphosphorylethoxy)-phenylgermane?
The InChIKey is YBPHZYBXWAGDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47GeO12P3/c1-10-29-38(26,30-11-2)21(7)35-25(24-19-17-16-18-20-24,36-22(8)39(27,31-12-3)32-13-4)37-23(9)40(28,33-14-5)34-15-6/h16-23H,10-15H2,1-9H3.
What are the key properties of tris(1-diethoxyphosphorylethoxy)-phenylgermane?
tris(1-diethoxyphosphorylethoxy)-phenylgermane has a molecular weight of 693.16 g/mol, XLogP of 6.72, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-diethoxyphosphorylethoxy)-phenylgermane is sourced from PubChem (CID 23412737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).