3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

C13H16O — CID 59167729

IUPAC3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCCOc1cccc2c1C1CCC2C1
InChIInChI=1S/C13H16O/c1-2-14-12-5-3-4-11-9-6-7-10(8-9)13(11)12/h3-5,9-10H,2,6-8H2,1H3
InChIKeyADUGTFYHNPGZCZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.45
Rot. Bonds2

About 3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (PubChem CID 59167729) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
PubChem CID59167729
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCCOc1cccc2c1C1CCC2C1
InChIInChI=1S/C13H16O/c1-2-14-12-5-3-4-11-9-6-7-10(8-9)13(11)12/h3-5,9-10H,2,6-8H2,1H3
InChIKeyADUGTFYHNPGZCZ-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of 3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (CID 59167729) is 3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for 3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for 3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is CCOc1cccc2c1C1CCC2C1.
What is the InChIKey of 3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is ADUGTFYHNPGZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-2-14-12-5-3-4-11-9-6-7-10(8-9)13(11)12/h3-5,9-10H,2,6-8H2,1H3.
What are the key properties of 3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 188.27 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 59167729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).