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'}

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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).