9-tert-butyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

C14H16O — CID 15710106

IUPAC9-tert-butyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESCC(C)(C)C1=CC2OC1c1ccccc12
InChIInChI=1S/C14H16O/c1-14(2,3)11-8-12-9-6-4-5-7-10(9)13(11)15-12/h4-8,12-13H,1-3H3
InChIKeyWGRACNKXFGAIMT-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.79
Rot. Bonds

About 9-tert-butyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

9-tert-butyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (PubChem CID 15710106) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 9-tert-butyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name9-tert-butyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
PubChem CID15710106
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name9-tert-butyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESCC(C)(C)C1=CC2OC1c1ccccc12
InChIInChI=1S/C14H16O/c1-14(2,3)11-8-12-9-6-4-5-7-10(9)13(11)15-12/h4-8,12-13H,1-3H3
InChIKeyWGRACNKXFGAIMT-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The IUPAC name of 9-tert-butyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (CID 15710106) is 9-tert-butyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.
What is the SMILES notation for 9-tert-butyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The canonical SMILES for 9-tert-butyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is CC(C)(C)C1=CC2OC1c1ccccc12.
What is the InChIKey of 9-tert-butyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The InChIKey is WGRACNKXFGAIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-14(2,3)11-8-12-9-6-4-5-7-10(9)13(11)15-12/h4-8,12-13H,1-3H3.
What are the key properties of 9-tert-butyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
9-tert-butyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene has a molecular weight of 200.28 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is sourced from PubChem (CID 15710106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).