(9-ethoxy-3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) prop-2-enoate

C15H20O5 — CID 23594296

IUPAC(9-ethoxy-3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) prop-2-enoate
SMILESC=CC(=O)OC1C2CCC(C1OCC)C1C(=O)OCC21
InChIInChI=1S/C15H20O5/c1-3-11(16)20-14-8-5-6-9(13(14)18-4-2)12-10(8)7-19-15(12)17/h3,8-10,12-14H,1,4-7H2,2H3
InChIKeyCZMNAFWVNREWQI-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.32
Rot. Bonds4

About (9-ethoxy-3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) prop-2-enoate

(9-ethoxy-3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) prop-2-enoate (PubChem CID 23594296) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is (9-ethoxy-3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) prop-2-enoate.

Molecular Properties

Compound Name(9-ethoxy-3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) prop-2-enoate
PubChem CID23594296
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name(9-ethoxy-3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) prop-2-enoate
SMILESC=CC(=O)OC1C2CCC(C1OCC)C1C(=O)OCC21
InChIInChI=1S/C15H20O5/c1-3-11(16)20-14-8-5-6-9(13(14)18-4-2)12-10(8)7-19-15(12)17/h3,8-10,12-14H,1,4-7H2,2H3
InChIKeyCZMNAFWVNREWQI-UHFFFAOYSA-N
XLogP1.32
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (9-ethoxy-3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) 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

8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 149104854
(12-oxo-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) prop-2-enoate
CID 58667668
(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) prop-2-enoate
CID 22168890
(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl prop-2-enoate
CID 154536495
(4R,4aR,7S,7aR)-4-ethenyl-7-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
CID 143708510
(9-ethyl-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate
CID 22168866
(9-ethoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(9-methyl-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate
CID 159781682
(6-ethyloxan-3-yl) prop-2-enoate
CID 145009692
11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate
CID 89290617
(8-methyl-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) prop-2-enoate
CID 22168877
(7-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) prop-2-enoate
CID 22168811
(3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) 2-iodobutanoate
CID 129121598

Frequently Asked Questions

What is the IUPAC name of (9-ethoxy-3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) prop-2-enoate?
The IUPAC name of (9-ethoxy-3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) prop-2-enoate (CID 23594296) is (9-ethoxy-3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) prop-2-enoate.
What is the SMILES notation for (9-ethoxy-3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) prop-2-enoate?
The canonical SMILES for (9-ethoxy-3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) prop-2-enoate is C=CC(=O)OC1C2CCC(C1OCC)C1C(=O)OCC21.
What is the InChIKey of (9-ethoxy-3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) prop-2-enoate?
The InChIKey is CZMNAFWVNREWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-3-11(16)20-14-8-5-6-9(13(14)18-4-2)12-10(8)7-19-15(12)17/h3,8-10,12-14H,1,4-7H2,2H3.
What are the key properties of (9-ethoxy-3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) prop-2-enoate?
(9-ethoxy-3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) prop-2-enoate has a molecular weight of 280.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethoxy-3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) prop-2-enoate is sourced from PubChem (CID 23594296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).