2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol

C11H16O2 — CID 548776

IUPAC2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
SMILESCC12COC(O)C1(C)C1C=CC2C1
InChIInChI=1S/C11H16O2/c1-10-6-13-9(12)11(10,2)8-4-3-7(10)5-8/h3-4,7-9,12H,5-6H2,1-2H3
InChIKeyFGFVPVCUBOXGJL-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.55
Rot. Bonds

About 2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol

2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol (PubChem CID 548776) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol.

Molecular Properties

Compound Name2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
PubChem CID548776
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
SMILESCC12COC(O)C1(C)C1C=CC2C1
InChIInChI=1S/C11H16O2/c1-10-6-13-9(12)11(10,2)8-4-3-7(10)5-8/h3-4,7-9,12H,5-6H2,1-2H3
InChIKeyFGFVPVCUBOXGJL-UHFFFAOYSA-N
XLogP1.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
The IUPAC name of 2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol (CID 548776) is 2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol.
What is the SMILES notation for 2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
The canonical SMILES for 2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol is CC12COC(O)C1(C)C1C=CC2C1.
What is the InChIKey of 2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
The InChIKey is FGFVPVCUBOXGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-10-6-13-9(12)11(10,2)8-4-3-7(10)5-8/h3-4,7-9,12H,5-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol has a molecular weight of 180.25 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol is sourced from PubChem (CID 548776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).