[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate

C7H15O6P — CID 159230701

IUPAC[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate
SMILESCC(=O)OCOP(=O)(O)OC(C)(C)C
InChIInChI=1S/C7H15O6P/c1-6(8)11-5-12-14(9,10)13-7(2,3)4/h5H2,1-4H3,(H,9,10)
InChIKeyFVHSYZJVQLQAQI-UHFFFAOYSA-N
MW226.16 g/mol
LogP1.44
Rot. Bonds4

About [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate

[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate (PubChem CID 159230701) has the molecular formula C7H15O6P and a molecular weight of 226.16 g/mol. Its IUPAC name is [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate.

Molecular Properties

Compound Name[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate
PubChem CID159230701
Molecular FormulaC7H15O6P
Molecular Weight226.16 g/mol
Exact Mass226.06
IUPAC Name[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate
SMILESCC(=O)OCOP(=O)(O)OC(C)(C)C
InChIInChI=1S/C7H15O6P/c1-6(8)11-5-12-14(9,10)13-7(2,3)4/h5H2,1-4H3,(H,9,10)
InChIKeyFVHSYZJVQLQAQI-UHFFFAOYSA-N
XLogP1.44
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 131873404
CID 131873404
tert-butyl 2-[hydroxy-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]phosphoryl]oxyethyl hydrogen phosphate
CID 157111782
[(2-methylpropan-2-yl)oxy-(propanoyloxymethoxy)phosphoryl]oxymethyl propanoate
CID 122697879
[2,2-dimethylpropoxy(hydroxy)phosphoryl]oxymethyl 3-methylbutanoate
CID 156628851
[acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate
CID 90882270
tert-butyl phosphonooxymethyl carbonate
CID 89472425
tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate
CID 165033493
acetyloxymethyl acetate;azane
CID 172795061
[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid
CID 158213950
benzyl tert-butyl hydrogen phosphate
CID 140989025
tert-butyl methoxy hydrogen phosphate
CID 172731458
bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate
CID 168835460

Frequently Asked Questions

What is the IUPAC name of [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate?
The IUPAC name of [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate (CID 159230701) is [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate.
What is the SMILES notation for [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate?
The canonical SMILES for [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate is CC(=O)OCOP(=O)(O)OC(C)(C)C.
What is the InChIKey of [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate?
The InChIKey is FVHSYZJVQLQAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O6P/c1-6(8)11-5-12-14(9,10)13-7(2,3)4/h5H2,1-4H3,(H,9,10).
What are the key properties of [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate?
[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate has a molecular weight of 226.16 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate is sourced from PubChem (CID 159230701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).