2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate

C15H20O6 — CID 118067437

IUPAC2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1C(=O)OC2(CCCCC2)OC1=O
InChIInChI=1S/C15H20O6/c1-10(2)12(16)19-9-6-11-13(17)20-15(21-14(11)18)7-4-3-5-8-15/h11H,1,3-9H2,2H3
InChIKeyJMKXLSDLSBKTTM-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.87
Rot. Bonds4

About 2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate

2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate (PubChem CID 118067437) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate
PubChem CID118067437
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1C(=O)OC2(CCCCC2)OC1=O
InChIInChI=1S/C15H20O6/c1-10(2)12(16)19-9-6-11-13(17)20-15(21-14(11)18)7-4-3-5-8-15/h11H,1,3-9H2,2H3
InChIKeyJMKXLSDLSBKTTM-UHFFFAOYSA-N
XLogP1.87
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-oxooxolan-2-yl)ethyl 2-methylprop-2-enoate
CID 20736051
5-cycloheptylpentyl 2-methylprop-2-enoate
CID 164546531
2-(1,3-dioxo-5,6,7,7a-tetrahydro-4H-isoindol-3a-yl)ethyl 2-methylprop-2-enoate
CID 22733769
2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate
CID 66606377
(2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate
CID 131854230
2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate
CID 58887182
2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate
CID 66631874
2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate
CID 139896785
2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)ethyl 2-methylprop-2-enoate
CID 67949279
CID 88971700
CID 88971700
[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate
CID 20643847

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate (CID 118067437) is 2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC1C(=O)OC2(CCCCC2)OC1=O.
What is the InChIKey of 2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is JMKXLSDLSBKTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-10(2)12(16)19-9-6-11-13(17)20-15(21-14(11)18)7-4-3-5-8-15/h11H,1,3-9H2,2H3.
What are the key properties of 2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate?
2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 296.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 118067437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).