9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one

C11H14O3 — CID 22034576

IUPAC9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
SMILESC=COC1CC2CC1C1C(=O)OCC21
InChIInChI=1S/C11H14O3/c1-2-13-9-4-6-3-7(9)10-8(6)5-14-11(10)12/h2,6-10H,1,3-5H2
InChIKeyDEPGIUCVUWMWIJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.34
Rot. Bonds2

About 9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one

9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one (PubChem CID 22034576) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Name9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
PubChem CID22034576
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
SMILESC=COC1CC2CC1C1C(=O)OCC21
InChIInChI=1S/C11H14O3/c1-2-13-9-4-6-3-7(9)10-8(6)5-14-11(10)12/h2,6-10H,1,3-5H2
InChIKeyDEPGIUCVUWMWIJ-UHFFFAOYSA-N
XLogP1.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one 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

(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl prop-2-enoate
CID 154536495
9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 146529876
(12-oxo-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) prop-2-enoate
CID 58667668
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) butanedioate
CID 59593728
(1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane
CID 102071717
[(7S)-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl] 2-methylprop-2-enoate
CID 126487493
(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 11804959
(1S,2S,6S,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 124787625
(1S,2R,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 98519994
(E)-2-methyl-3-(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enoic acid
CID 67120343
8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 58868408
8,9-dihydroxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 22034559

Frequently Asked Questions

What is the IUPAC name of 9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of 9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one (CID 22034576) is 9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for 9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for 9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one is C=COC1CC2CC1C1C(=O)OCC21.
What is the InChIKey of 9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is DEPGIUCVUWMWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-13-9-4-6-3-7(9)10-8(6)5-14-11(10)12/h2,6-10H,1,3-5H2.
What are the key properties of 9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one?
9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 194.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 22034576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).