tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol

C11H12O2 — CID 13166975

IUPACtricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol
SMILESOC1C2CC(c3ccccc32)C1O
InChIInChI=1S/C11H12O2/c12-10-8-5-9(11(10)13)7-4-2-1-3-6(7)8/h1-4,8-13H,5H2
InChIKeyKKBAQAHAWLUGNK-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.99
Rot. Bonds

About tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol

tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol (PubChem CID 13166975) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol.

Molecular Properties

Compound Nametricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol
PubChem CID13166975
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Nametricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol
SMILESOC1C2CC(c3ccccc32)C1O
InChIInChI=1S/C11H12O2/c12-10-8-5-9(11(10)13)7-4-2-1-3-6(7)8/h1-4,8-13H,5H2
InChIKeyKKBAQAHAWLUGNK-UHFFFAOYSA-N
XLogP0.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol?
The IUPAC name of tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol (CID 13166975) is tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol.
What is the SMILES notation for tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol?
The canonical SMILES for tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol is OC1C2CC(c3ccccc32)C1O.
What is the InChIKey of tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol?
The InChIKey is KKBAQAHAWLUGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-10-8-5-9(11(10)13)7-4-2-1-3-6(7)8/h1-4,8-13H,5H2.
What are the key properties of tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol?
tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol has a molecular weight of 176.22 g/mol, XLogP of 0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol is sourced from PubChem (CID 13166975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).