3-ethoxy-4-oxatricyclo[4.2.1.03,7]nonane

C10H16O2 — CID 131860043

IUPAC3-ethoxy-4-oxatricyclo[4.2.1.03,7]nonane
SMILESCCOC12CC3CC(CO1)C2C3
InChIInChI=1S/C10H16O2/c1-2-11-10-5-7-3-8(6-12-10)9(10)4-7/h7-9H,2-6H2,1H3
InChIKeyXZLMVOPUCXNUFC-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.80
Rot. Bonds2

About 3-ethoxy-4-oxatricyclo[4.2.1.03,7]nonane

3-ethoxy-4-oxatricyclo[4.2.1.03,7]nonane (PubChem CID 131860043) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-ethoxy-4-oxatricyclo[4.2.1.03,7]nonane.

Molecular Properties

Compound Name3-ethoxy-4-oxatricyclo[4.2.1.03,7]nonane
PubChem CID131860043
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-ethoxy-4-oxatricyclo[4.2.1.03,7]nonane
SMILESCCOC12CC3CC(CO1)C2C3
InChIInChI=1S/C10H16O2/c1-2-11-10-5-7-3-8(6-12-10)9(10)4-7/h7-9H,2-6H2,1H3
InChIKeyXZLMVOPUCXNUFC-UHFFFAOYSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-oxatricyclo[4.2.1.03,7]nonane?
The IUPAC name of 3-ethoxy-4-oxatricyclo[4.2.1.03,7]nonane (CID 131860043) is 3-ethoxy-4-oxatricyclo[4.2.1.03,7]nonane.
What is the SMILES notation for 3-ethoxy-4-oxatricyclo[4.2.1.03,7]nonane?
The canonical SMILES for 3-ethoxy-4-oxatricyclo[4.2.1.03,7]nonane is CCOC12CC3CC(CO1)C2C3.
What is the InChIKey of 3-ethoxy-4-oxatricyclo[4.2.1.03,7]nonane?
The InChIKey is XZLMVOPUCXNUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-11-10-5-7-3-8(6-12-10)9(10)4-7/h7-9H,2-6H2,1H3.
What are the key properties of 3-ethoxy-4-oxatricyclo[4.2.1.03,7]nonane?
3-ethoxy-4-oxatricyclo[4.2.1.03,7]nonane has a molecular weight of 168.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-oxatricyclo[4.2.1.03,7]nonane is sourced from PubChem (CID 131860043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).