[hydroxy-[(3-methoxy-2,2-dimethylpropanoyl)oxymethoxy]phosphoryl]formic acid

C8H15O8P — CID 23387641

IUPAC[hydroxy-[(3-methoxy-2,2-dimethylpropanoyl)oxymethoxy]phosphoryl]formic acid
SMILESCOCC(C)(C)C(=O)OCOP(=O)(O)C(=O)O
InChIInChI=1S/C8H15O8P/c1-8(2,4-14-3)6(9)15-5-16-17(12,13)7(10)11/h4-5H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyGVOLRQCOKFMXFU-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.04
Rot. Bonds7

About [hydroxy-[(3-methoxy-2,2-dimethylpropanoyl)oxymethoxy]phosphoryl]formic acid

[hydroxy-[(3-methoxy-2,2-dimethylpropanoyl)oxymethoxy]phosphoryl]formic acid (PubChem CID 23387641) has the molecular formula C8H15O8P and a molecular weight of 270.17 g/mol. Its IUPAC name is [hydroxy-[(3-methoxy-2,2-dimethylpropanoyl)oxymethoxy]phosphoryl]formic acid.

Molecular Properties

Compound Name[hydroxy-[(3-methoxy-2,2-dimethylpropanoyl)oxymethoxy]phosphoryl]formic acid
PubChem CID23387641
Molecular FormulaC8H15O8P
Molecular Weight270.17 g/mol
Exact Mass270.05
IUPAC Name[hydroxy-[(3-methoxy-2,2-dimethylpropanoyl)oxymethoxy]phosphoryl]formic acid
SMILESCOCC(C)(C)C(=O)OCOP(=O)(O)C(=O)O
InChIInChI=1S/C8H15O8P/c1-8(2,4-14-3)6(9)15-5-16-17(12,13)7(10)11/h4-5H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyGVOLRQCOKFMXFU-UHFFFAOYSA-N
XLogP1.04
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

chloromethyl 3-methoxy-2,2-dimethylpropanoate
CID 14459693
(5-methoxy-2,4,4-trimethyl-3-oxopentan-2-yl)phosphonic acid
CID 88785162
[2,2-dimethylpropanoyloxymethoxy(2,2-dimethylpropoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 139390399
methoxymethyl 2,2-dimethylbutanoate
CID 18731138
dimethylphosphoryloxymethyl 2,2-dimethylpropanoate
CID 59034886
[2,2-dimethylpropoxy(hydroxy)phosphoryl]oxymethyl 3-methylbutanoate
CID 156628851
2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate
CID 87720487
3-[3-(3-methoxy-2,2-dimethylpropanoyl)oxy-2,2-dimethylpropoxy]carbonyl-5-[3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-3-oxopropoxy]carbonylbenzoic acid
CID 121474293
ethyl 3-[2,2-dimethylpropyl-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)phosphoryl]oxy-2,2-dimethylpropanoate
CID 177089337
[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate
CID 159230701
2-amino-2-methyl-3-phosphonooxypropanoic acid
CID 3964633
tert-butyl phosphonooxymethyl carbonate
CID 89472425

Frequently Asked Questions

What is the IUPAC name of [hydroxy-[(3-methoxy-2,2-dimethylpropanoyl)oxymethoxy]phosphoryl]formic acid?
The IUPAC name of [hydroxy-[(3-methoxy-2,2-dimethylpropanoyl)oxymethoxy]phosphoryl]formic acid (CID 23387641) is [hydroxy-[(3-methoxy-2,2-dimethylpropanoyl)oxymethoxy]phosphoryl]formic acid.
What is the SMILES notation for [hydroxy-[(3-methoxy-2,2-dimethylpropanoyl)oxymethoxy]phosphoryl]formic acid?
The canonical SMILES for [hydroxy-[(3-methoxy-2,2-dimethylpropanoyl)oxymethoxy]phosphoryl]formic acid is COCC(C)(C)C(=O)OCOP(=O)(O)C(=O)O.
What is the InChIKey of [hydroxy-[(3-methoxy-2,2-dimethylpropanoyl)oxymethoxy]phosphoryl]formic acid?
The InChIKey is GVOLRQCOKFMXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O8P/c1-8(2,4-14-3)6(9)15-5-16-17(12,13)7(10)11/h4-5H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of [hydroxy-[(3-methoxy-2,2-dimethylpropanoyl)oxymethoxy]phosphoryl]formic acid?
[hydroxy-[(3-methoxy-2,2-dimethylpropanoyl)oxymethoxy]phosphoryl]formic acid has a molecular weight of 270.17 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[(3-methoxy-2,2-dimethylpropanoyl)oxymethoxy]phosphoryl]formic acid is sourced from PubChem (CID 23387641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).