prop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate

C11H18O5 — CID 126624457

IUPACprop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate
SMILESC=CCOC(=O)C(C)(COC)COC(C)=O
InChIInChI=1S/C11H18O5/c1-5-6-15-10(13)11(3,7-14-4)8-16-9(2)12/h5H,1,6-8H2,2-4H3
InChIKeyXQTYWNUWENZWBY-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.93
Rot. Bonds7

About prop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate

prop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate (PubChem CID 126624457) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is prop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate
PubChem CID126624457
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Nameprop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate
SMILESC=CCOC(=O)C(C)(COC)COC(C)=O
InChIInChI=1S/C11H18O5/c1-5-6-15-10(13)11(3,7-14-4)8-16-9(2)12/h5H,1,6-8H2,2-4H3
InChIKeyXQTYWNUWENZWBY-UHFFFAOYSA-N
XLogP0.93
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate
CID 118000170
[2-methyl-3-[2-methyl-2-[[2-methyl-3-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxy-2-[(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxymethyl]propanoyl]oxymethyl]-3-oxo-3-prop-2-enoxypropoxy]-3-oxo-2-[(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxymethyl]propyl] 2,2,5-trimethyl-1,3-dioxane-5-carboxylate
CID 75534897
pent-4-enyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-methoxy-2-methylpropanoate
CID 146636468
3-[3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoyl]oxypropyl-trimethylazanium
CID 88981219
prop-2-enyl 2-chloro-2-methylpropanoate
CID 21285838
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]prop-2-enyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate
CID 101455803
bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate
CID 121263061
prop-2-enyl 2,2-dimethylbutanoate
CID 18714422
butan-2-one;prop-2-enyl acetate
CID 118347758
1-O-ethyl 4-O-prop-2-enyl 2,2,3,3-tetramethylbutanedioate
CID 59122625
1,1-dimethoxyethane;prop-2-enyl acetate
CID 87678916
prop-2-enyl 2,4-dimethyl-2-propylpentanoate
CID 166811220

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate?
The IUPAC name of prop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate (CID 126624457) is prop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate.
What is the SMILES notation for prop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate?
The canonical SMILES for prop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate is C=CCOC(=O)C(C)(COC)COC(C)=O.
What is the InChIKey of prop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate?
The InChIKey is XQTYWNUWENZWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-5-6-15-10(13)11(3,7-14-4)8-16-9(2)12/h5H,1,6-8H2,2-4H3.
What are the key properties of prop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate?
prop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate has a molecular weight of 230.26 g/mol, XLogP of 0.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate is sourced from PubChem (CID 126624457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).