[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate

C13H14O6 — CID 150021563

IUPAC[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)OC12CC3OC(=O)C(C1)C3C2
InChIInChI=1S/C13H14O6/c1-2-10(14)17-6-11(15)19-13-3-7-8(4-13)12(16)18-9(7)5-13/h2,7-9H,1,3-6H2
InChIKeyDFJBGFPEUAXHHB-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.35
Rot. Bonds4

About [2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate

[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate (PubChem CID 150021563) has the molecular formula C13H14O6 and a molecular weight of 266.25 g/mol. Its IUPAC name is [2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate
PubChem CID150021563
Molecular FormulaC13H14O6
Molecular Weight266.25 g/mol
Exact Mass266.08
IUPAC Name[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)OC12CC3OC(=O)C(C1)C3C2
InChIInChI=1S/C13H14O6/c1-2-10(14)17-6-11(15)19-13-3-7-8(4-13)12(16)18-9(7)5-13/h2,7-9H,1,3-6H2
InChIKeyDFJBGFPEUAXHHB-UHFFFAOYSA-N
XLogP0.35
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.35
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-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-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

1-(3,3-dimethylpent-1-en-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;(1-ethylcyclopentyl) 2,2-dimethylbutanoate
CID 123230072
[2-[[4-(hydroxymethoxy)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]-2-oxoethyl] prop-2-enoate
CID 58013593
[2-[(5,7-dihydroxy-1-tetracyclo[5.3.1.03,9.05,9]undecanyl)oxy]-2-oxoethyl] prop-2-enoate
CID 147760205
[2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate
CID 59460074
[2-(3-methyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate
CID 59460095
formaldehyde;[2-[(5-hydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate
CID 123164190
[2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate
CID 123601324
5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-1-carboxylic acid
CID 141310686
(9-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl) prop-2-enoate
CID 151238323
[(1R,7S)-9-oxo-8-oxatricyclo[5.3.1.02,6]undecan-10-yl]methyl prop-2-enoate
CID 101367201
2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate
CID 87837964
[2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate
CID 68570388

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate?
The IUPAC name of [2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate (CID 150021563) is [2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate.
What is the SMILES notation for [2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate?
The canonical SMILES for [2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate is C=CC(=O)OCC(=O)OC12CC3OC(=O)C(C1)C3C2.
What is the InChIKey of [2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate?
The InChIKey is DFJBGFPEUAXHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O6/c1-2-10(14)17-6-11(15)19-13-3-7-8(4-13)12(16)18-9(7)5-13/h2,7-9H,1,3-6H2.
What are the key properties of [2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate?
[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate has a molecular weight of 266.25 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate is sourced from PubChem (CID 150021563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).