2,3-diacetyloxypropyl 2-methylprop-2-enoate

C11H16O6 — CID 18979747

IUPAC2,3-diacetyloxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COC(C)=O)OC(C)=O
InChIInChI=1S/C11H16O6/c1-7(2)11(14)16-6-10(17-9(4)13)5-15-8(3)12/h10H,1,5-6H2,2-4H3
InChIKeyJQSKUHDLWZKGBK-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.60
Rot. Bonds6

About 2,3-diacetyloxypropyl 2-methylprop-2-enoate

2,3-diacetyloxypropyl 2-methylprop-2-enoate (PubChem CID 18979747) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2,3-diacetyloxypropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,3-diacetyloxypropyl 2-methylprop-2-enoate
PubChem CID18979747
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name2,3-diacetyloxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COC(C)=O)OC(C)=O
InChIInChI=1S/C11H16O6/c1-7(2)11(14)16-6-10(17-9(4)13)5-15-8(3)12/h10H,1,5-6H2,2-4H3
InChIKeyJQSKUHDLWZKGBK-UHFFFAOYSA-N
XLogP0.60
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

azane;2,3-diacetyloxypropyl acetate;hydrochloride
CID 173356168
2-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonyl]prop-2-enoic acid
CID 54328343
[(2S,5S)-2,5,6-triacetyloxyhexyl] acetate
CID 91758706
2-(acetyloxymethyl)pentyl 2-methylprop-2-enoate
CID 131979241
ethane-1,2-diol;[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 22129264
2,3-diacetyloxypropyl 2-hydroperoxyacetate
CID 88932780
(2-acetyloxy-3-trimethylsilyloxypropyl) acetate
CID 91709764
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
(Z)-4-[2,3-bis(2-methylprop-2-enoyloxy)propoxy]-4-oxobut-2-enoic acid
CID 87307378
2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid
CID 102099810
[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyloxy]-3-hydroxypropyl] 2-methylprop-2-enoate
CID 164782011
[3-acetyloxy-2-(1-acetyloxy-2-fluoroethoxy)propyl] acetate
CID 129214216

Frequently Asked Questions

What is the IUPAC name of 2,3-diacetyloxypropyl 2-methylprop-2-enoate?
The IUPAC name of 2,3-diacetyloxypropyl 2-methylprop-2-enoate (CID 18979747) is 2,3-diacetyloxypropyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,3-diacetyloxypropyl 2-methylprop-2-enoate?
The canonical SMILES for 2,3-diacetyloxypropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(COC(C)=O)OC(C)=O.
What is the InChIKey of 2,3-diacetyloxypropyl 2-methylprop-2-enoate?
The InChIKey is JQSKUHDLWZKGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-7(2)11(14)16-6-10(17-9(4)13)5-15-8(3)12/h10H,1,5-6H2,2-4H3.
What are the key properties of 2,3-diacetyloxypropyl 2-methylprop-2-enoate?
2,3-diacetyloxypropyl 2-methylprop-2-enoate has a molecular weight of 244.24 g/mol, XLogP of 0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diacetyloxypropyl 2-methylprop-2-enoate is sourced from PubChem (CID 18979747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).