6-(2-oxatricyclo[2.2.1.11,3]octan-6-yl)-3-oxatricyclo[3.2.1.02,4]octane

C14H18O2 — CID 138573615

IUPAC6-(2-oxatricyclo[2.2.1.11,3]octan-6-yl)-3-oxatricyclo[3.2.1.02,4]octane
SMILESC1C2CC(C3CC4CC35CC4O5)C1C1OC21
InChIInChI=1S/C14H18O2/c1-6-2-9(13-12(6)15-13)8(1)10-3-7-4-14(10)5-11(7)16-14/h6-13H,1-5H2
InChIKeyFTKMJWHPDXLPMJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.98
Rot. Bonds1

About 6-(2-oxatricyclo[2.2.1.11,3]octan-6-yl)-3-oxatricyclo[3.2.1.02,4]octane

6-(2-oxatricyclo[2.2.1.11,3]octan-6-yl)-3-oxatricyclo[3.2.1.02,4]octane (PubChem CID 138573615) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-(2-oxatricyclo[2.2.1.11,3]octan-6-yl)-3-oxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name6-(2-oxatricyclo[2.2.1.11,3]octan-6-yl)-3-oxatricyclo[3.2.1.02,4]octane
PubChem CID138573615
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name6-(2-oxatricyclo[2.2.1.11,3]octan-6-yl)-3-oxatricyclo[3.2.1.02,4]octane
SMILESC1C2CC(C3CC4CC35CC4O5)C1C1OC21
InChIInChI=1S/C14H18O2/c1-6-2-9(13-12(6)15-13)8(1)10-3-7-4-14(10)5-11(7)16-14/h6-13H,1-5H2
InChIKeyFTKMJWHPDXLPMJ-UHFFFAOYSA-N
XLogP1.98
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.98
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-(2-oxatricyclo[2.2.1.11,3]octan-6-yl)-3-oxatricyclo[3.2.1.02,4]octane?
The IUPAC name of 6-(2-oxatricyclo[2.2.1.11,3]octan-6-yl)-3-oxatricyclo[3.2.1.02,4]octane (CID 138573615) is 6-(2-oxatricyclo[2.2.1.11,3]octan-6-yl)-3-oxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for 6-(2-oxatricyclo[2.2.1.11,3]octan-6-yl)-3-oxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for 6-(2-oxatricyclo[2.2.1.11,3]octan-6-yl)-3-oxatricyclo[3.2.1.02,4]octane is C1C2CC(C3CC4CC35CC4O5)C1C1OC21.
What is the InChIKey of 6-(2-oxatricyclo[2.2.1.11,3]octan-6-yl)-3-oxatricyclo[3.2.1.02,4]octane?
The InChIKey is FTKMJWHPDXLPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-6-2-9(13-12(6)15-13)8(1)10-3-7-4-14(10)5-11(7)16-14/h6-13H,1-5H2.
What are the key properties of 6-(2-oxatricyclo[2.2.1.11,3]octan-6-yl)-3-oxatricyclo[3.2.1.02,4]octane?
6-(2-oxatricyclo[2.2.1.11,3]octan-6-yl)-3-oxatricyclo[3.2.1.02,4]octane has a molecular weight of 218.30 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxatricyclo[2.2.1.11,3]octan-6-yl)-3-oxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 138573615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).