[2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate

C15H20O6 — CID 166570806

IUPAC[2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC1CCC2CCC(=O)OC1C2
InChIInChI=1S/C15H20O6/c1-9(2)15(18)19-8-14(17)20-11-5-3-10-4-6-13(16)21-12(11)7-10/h10-12H,1,3-8H2,2H3
InChIKeyVWZLGHBDZUMLFK-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.52
Rot. Bonds4

About [2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate

[2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate (PubChem CID 166570806) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is [2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate
PubChem CID166570806
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name[2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC1CCC2CCC(=O)OC1C2
InChIInChI=1S/C15H20O6/c1-9(2)15(18)19-8-14(17)20-11-5-3-10-4-6-13(16)21-12(11)7-10/h10-12H,1,3-8H2,2H3
InChIKeyVWZLGHBDZUMLFK-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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'}

Analyze [2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3-prop-2-enoyloxypropanoate;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] prop-2-enoate;[3-oxo-3-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]propyl] 2-methylprop-2-enoate
CID 160622338
[2-(4,6-dimethyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 141250973
2-(5-oxooxolan-2-yl)ethyl 2-methylprop-2-enoate
CID 20736051
[2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 68793673
[2-oxo-2-[(4-oxo-5-oxatetracyclo[4.4.0.02,8.02,10]decan-7-yl)oxy]ethyl] 2-methylprop-2-enoate
CID 134170332
[2-[(3-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 59623366
[1-oxo-1-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]propan-2-yl] 2-methylprop-2-enoate
CID 70671929
[2-[(3-methyl-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 59623395
[2-[(6-methyl-5-sulfinooxy-7-oxabicyclo[2.2.1]heptan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 129190027
[2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 89036882
4-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate
CID 176837731
[2-[(3-methylidene-7,7-dioxo-6-oxa-7λ6-thiabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 88578103

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate (CID 166570806) is [2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)OC1CCC2CCC(=O)OC1C2.
What is the InChIKey of [2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate?
The InChIKey is VWZLGHBDZUMLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-9(2)15(18)19-8-14(17)20-11-5-3-10-4-6-13(16)21-12(11)7-10/h10-12H,1,3-8H2,2H3.
What are the key properties of [2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate?
[2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate has a molecular weight of 296.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 166570806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).