6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane

C9H14O2 — CID 45098405

IUPAC6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane
SMILESCCOC1CC2CC1C1OC21
InChIInChI=1S/C9H14O2/c1-2-10-7-4-5-3-6(7)9-8(5)11-9/h5-9H,2-4H2,1H3
InChIKeyDNKHUTSSAGDAIT-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.20
Rot. Bonds2

About 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane

6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane (PubChem CID 45098405) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane
PubChem CID45098405
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane
SMILESCCOC1CC2CC1C1OC21
InChIInChI=1S/C9H14O2/c1-2-10-7-4-5-3-6(7)9-8(5)11-9/h5-9H,2-4H2,1H3
InChIKeyDNKHUTSSAGDAIT-UHFFFAOYSA-N
XLogP1.20
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane?
The IUPAC name of 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane (CID 45098405) is 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane is CCOC1CC2CC1C1OC21.
What is the InChIKey of 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane?
The InChIKey is DNKHUTSSAGDAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-10-7-4-5-3-6(7)9-8(5)11-9/h5-9H,2-4H2,1H3.
What are the key properties of 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane?
6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane has a molecular weight of 154.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 45098405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).