1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol

C19H42O8P2 — CID 169009446

IUPAC1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol
SMILESCCP(=O)(CC)OCC(O)COCC(C)(C)COCC(O)COP(=O)(CC)CC
InChIInChI=1S/C19H42O8P2/c1-7-28(22,8-2)26-13-17(20)11-24-15-19(5,6)16-25-12-18(21)14-27-29(23,9-3)10-4/h17-18,20-21H,7-16H2,1-6H3
InChIKeyIKHCSVQDUSOLGI-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.44
Rot. Bonds18

About 1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol

1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol (PubChem CID 169009446) has the molecular formula C19H42O8P2 and a molecular weight of 460.49 g/mol. Its IUPAC name is 1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol.

Molecular Properties

Compound Name1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol
PubChem CID169009446
Molecular FormulaC19H42O8P2
Molecular Weight460.49 g/mol
Exact Mass460.24
IUPAC Name1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol
SMILESCCP(=O)(CC)OCC(O)COCC(C)(C)COCC(O)COP(=O)(CC)CC
InChIInChI=1S/C19H42O8P2/c1-7-28(22,8-2)26-13-17(20)11-24-15-19(5,6)16-25-12-18(21)14-27-29(23,9-3)10-4/h17-18,20-21H,7-16H2,1-6H3
InChIKeyIKHCSVQDUSOLGI-UHFFFAOYSA-N
XLogP3.44
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol
CID 142384045
3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol
CID 18991200
1-(2-amino-2-methylpropoxy)butan-2-ol
CID 106939915
cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane
CID 158042815
2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol
CID 138481907
1-[2,2-bis(2-hydroxybutoxymethyl)butoxy]butan-2-ol
CID 118403092
1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol
CID 134453133
tert-butyl [2-hydroxy-3-[2-(propanoylamino)ethoxy]propyl] phosphate
CID 158515585
[3-(2,2-dimethylpropoxy)-2-hydroxypropyl] butanoate
CID 118263382
ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid
CID 166907584
(2-hydroxy-3-propoxypropyl)phosphonic acid
CID 174615667
ethane;(3-heptadecoxy-2-hydroxypropyl) dihydrogen phosphate
CID 159833302

Frequently Asked Questions

What is the IUPAC name of 1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol?
The IUPAC name of 1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol (CID 169009446) is 1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol.
What is the SMILES notation for 1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol?
The canonical SMILES for 1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol is CCP(=O)(CC)OCC(O)COCC(C)(C)COCC(O)COP(=O)(CC)CC.
What is the InChIKey of 1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol?
The InChIKey is IKHCSVQDUSOLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O8P2/c1-7-28(22,8-2)26-13-17(20)11-24-15-19(5,6)16-25-12-18(21)14-27-29(23,9-3)10-4/h17-18,20-21H,7-16H2,1-6H3.
What are the key properties of 1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol?
1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol has a molecular weight of 460.49 g/mol, XLogP of 3.44, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol is sourced from PubChem (CID 169009446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).