[methoxy(propan-2-yloxy)phosphoryl]methyl acetate

C7H15O5P — CID 10965753

IUPAC[methoxy(propan-2-yloxy)phosphoryl]methyl acetate
SMILESCOP(=O)(COC(C)=O)OC(C)C
InChIInChI=1S/C7H15O5P/c1-6(2)12-13(9,10-4)5-11-7(3)8/h6H,5H2,1-4H3
InChIKeyGUPILQRVXDUXAT-UHFFFAOYSA-N
MW210.17 g/mol
LogP1.77
Rot. Bonds5

About [methoxy(propan-2-yloxy)phosphoryl]methyl acetate

[methoxy(propan-2-yloxy)phosphoryl]methyl acetate (PubChem CID 10965753) has the molecular formula C7H15O5P and a molecular weight of 210.17 g/mol. Its IUPAC name is [methoxy(propan-2-yloxy)phosphoryl]methyl acetate.

Molecular Properties

Compound Name[methoxy(propan-2-yloxy)phosphoryl]methyl acetate
PubChem CID10965753
Molecular FormulaC7H15O5P
Molecular Weight210.17 g/mol
Exact Mass210.07
IUPAC Name[methoxy(propan-2-yloxy)phosphoryl]methyl acetate
SMILESCOP(=O)(COC(C)=O)OC(C)C
InChIInChI=1S/C7H15O5P/c1-6(2)12-13(9,10-4)5-11-7(3)8/h6H,5H2,1-4H3
InChIKeyGUPILQRVXDUXAT-UHFFFAOYSA-N
XLogP1.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate
CID 12810488
(1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate
CID 71392975
methane;methyl dipropan-2-yl phosphate
CID 158565801
2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid
CID 123217375
4-dimethoxyphosphoryl-2-methoxycarbonyl-3-methylbutanoic acid
CID 19107770
N-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide
CID 2785305
dimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate
CID 88549328
2-di(propan-2-yloxy)phosphorylethanimidamide
CID 12609538
3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one
CID 134894233
3-dimethoxyphosphoryl-2-methylpropanoic acid
CID 88734508
1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one
CID 125475807
2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
CID 134976793

Frequently Asked Questions

What is the IUPAC name of [methoxy(propan-2-yloxy)phosphoryl]methyl acetate?
The IUPAC name of [methoxy(propan-2-yloxy)phosphoryl]methyl acetate (CID 10965753) is [methoxy(propan-2-yloxy)phosphoryl]methyl acetate.
What is the SMILES notation for [methoxy(propan-2-yloxy)phosphoryl]methyl acetate?
The canonical SMILES for [methoxy(propan-2-yloxy)phosphoryl]methyl acetate is COP(=O)(COC(C)=O)OC(C)C.
What is the InChIKey of [methoxy(propan-2-yloxy)phosphoryl]methyl acetate?
The InChIKey is GUPILQRVXDUXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O5P/c1-6(2)12-13(9,10-4)5-11-7(3)8/h6H,5H2,1-4H3.
What are the key properties of [methoxy(propan-2-yloxy)phosphoryl]methyl acetate?
[methoxy(propan-2-yloxy)phosphoryl]methyl acetate has a molecular weight of 210.17 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(propan-2-yloxy)phosphoryl]methyl acetate is sourced from PubChem (CID 10965753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).