[acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate

C8H13O7P — CID 90882270

IUPAC[acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate
SMILESC=CP(=O)(OCOC(C)=O)OCOC(C)=O
InChIInChI=1S/C8H13O7P/c1-4-16(11,14-5-12-7(2)9)15-6-13-8(3)10/h4H,1,5-6H2,2-3H3
InChIKeyFMYUKCIADXMQTK-UHFFFAOYSA-N
MW252.16 g/mol
LogP1.40
Rot. Bonds7

About [acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate

[acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate (PubChem CID 90882270) has the molecular formula C8H13O7P and a molecular weight of 252.16 g/mol. Its IUPAC name is [acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate.

Molecular Properties

Compound Name[acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate
PubChem CID90882270
Molecular FormulaC8H13O7P
Molecular Weight252.16 g/mol
Exact Mass252.04
IUPAC Name[acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate
SMILESC=CP(=O)(OCOC(C)=O)OCOC(C)=O
InChIInChI=1S/C8H13O7P/c1-4-16(11,14-5-12-7(2)9)15-6-13-8(3)10/h4H,1,5-6H2,2-3H3
InChIKeyFMYUKCIADXMQTK-UHFFFAOYSA-N
XLogP1.40
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

ethenoxymethyl acetate
CID 54090433
acetyloxymethyl acetate;azane
CID 172795061
[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate
CID 159230701
acetic acid;acetyloxymethyl acetate
CID 175421869
2-acetyloxyethyl acetate;buta-1,3-diene
CID 87510767
1-dimethoxyphosphorylethene;methanol
CID 174918241
bis(acetyloxymethyl) propanedioate
CID 59124845
chloroethene;ethyl acetate
CID 19771492
2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid
CID 155386844
1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane
CID 156751885
1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane
CID 156751855
[(E)-3-dimethoxyphosphorylprop-2-enyl] acetate
CID 11052829

Frequently Asked Questions

What is the IUPAC name of [acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate?
The IUPAC name of [acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate (CID 90882270) is [acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate.
What is the SMILES notation for [acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate?
The canonical SMILES for [acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate is C=CP(=O)(OCOC(C)=O)OCOC(C)=O.
What is the InChIKey of [acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate?
The InChIKey is FMYUKCIADXMQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O7P/c1-4-16(11,14-5-12-7(2)9)15-6-13-8(3)10/h4H,1,5-6H2,2-3H3.
What are the key properties of [acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate?
[acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate has a molecular weight of 252.16 g/mol, XLogP of 1.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate is sourced from PubChem (CID 90882270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).