[2,2-dimethylpropanoyloxymethoxy(methoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate

C13H25O8P — CID 59477085

IUPAC[2,2-dimethylpropanoyloxymethoxy(methoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
SMILESCOP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
InChIInChI=1S/C13H25O8P/c1-12(2,3)10(14)18-8-20-22(16,17-7)21-9-19-11(15)13(4,5)6/h8-9H2,1-7H3
InChIKeyMXFPSQRIEFANLC-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.87
Rot. Bonds7

About [2,2-dimethylpropanoyloxymethoxy(methoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate

[2,2-dimethylpropanoyloxymethoxy(methoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate (PubChem CID 59477085) has the molecular formula C13H25O8P and a molecular weight of 340.31 g/mol. Its IUPAC name is [2,2-dimethylpropanoyloxymethoxy(methoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2,2-dimethylpropanoyloxymethoxy(methoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
PubChem CID59477085
Molecular FormulaC13H25O8P
Molecular Weight340.31 g/mol
Exact Mass340.13
IUPAC Name[2,2-dimethylpropanoyloxymethoxy(methoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
SMILESCOP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
InChIInChI=1S/C13H25O8P/c1-12(2,3)10(14)18-8-20-22(16,17-7)21-9-19-11(15)13(4,5)6/h8-9H2,1-7H3
InChIKeyMXFPSQRIEFANLC-UHFFFAOYSA-N
XLogP2.87
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Bis(isopropylyloxymethyl) methyl foscarnet
CID 452119
[1-Acetyloxy-1-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryl]ethyl]-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid
CID 10395573
[[1-Acetyloxy-1-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryl]ethyl]-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 101067220
Bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl 2,2-dimethylpropanoate
CID 11487495
((Hydroxyphosphoryl)bis(oxy))bis(methylene) bis(2,2-dimethylpropanoate)
CID 14700775
Bis(tert-butyloxymethoxy)oxophosphinocarboxylic acid, methyl ester
CID 452126
Phosphate tris(acetoxymethyl) ester
CID 54102653
[Chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 90994567
[1,1-Difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 169171157
[2,2-Dimethylpropanoyloxymethoxy(1-fluoroethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 169218789
[Ethoxycarbonyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate
CID 470156
((Chlorophosphoryl)bis(oxy))bis(methylene) bis(2,2-dimethylpropanoate)
CID 11427930

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethylpropanoyloxymethoxy(methoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate?
The IUPAC name of [2,2-dimethylpropanoyloxymethoxy(methoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate (CID 59477085) is [2,2-dimethylpropanoyloxymethoxy(methoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate.
What is the SMILES notation for [2,2-dimethylpropanoyloxymethoxy(methoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate?
The canonical SMILES for [2,2-dimethylpropanoyloxymethoxy(methoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate is COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C.
What is the InChIKey of [2,2-dimethylpropanoyloxymethoxy(methoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate?
The InChIKey is MXFPSQRIEFANLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25O8P/c1-12(2,3)10(14)18-8-20-22(16,17-7)21-9-19-11(15)13(4,5)6/h8-9H2,1-7H3.
What are the key properties of [2,2-dimethylpropanoyloxymethoxy(methoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate?
[2,2-dimethylpropanoyloxymethoxy(methoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate has a molecular weight of 340.31 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethylpropanoyloxymethoxy(methoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 59477085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).