(1S,9R)-6-methoxy-8-methyl-12-oxatricyclo[7.2.1.01,5]dodeca-5,7,10-triene

C13H16O2 — CID 102247250

IUPAC(1S,9R)-6-methoxy-8-methyl-12-oxatricyclo[7.2.1.01,5]dodeca-5,7,10-triene
SMILESCOC1=C2CCC[C@]23C=C[C@@H](O3)C(C)=C1
InChIInChI=1S/C13H16O2/c1-9-8-12(14-2)10-4-3-6-13(10)7-5-11(9)15-13/h5,7-8,11H,3-4,6H2,1-2H3/t11-,13+/m1/s1
InChIKeyMVEJMAVJNVRIAO-YPMHNXCESA-N
MW204.27 g/mol
LogP2.72
Rot. Bonds1

About (1S,9R)-6-methoxy-8-methyl-12-oxatricyclo[7.2.1.01,5]dodeca-5,7,10-triene

(1S,9R)-6-methoxy-8-methyl-12-oxatricyclo[7.2.1.01,5]dodeca-5,7,10-triene (PubChem CID 102247250) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (1S,9R)-6-methoxy-8-methyl-12-oxatricyclo[7.2.1.01,5]dodeca-5,7,10-triene.

Molecular Properties

Compound Name(1S,9R)-6-methoxy-8-methyl-12-oxatricyclo[7.2.1.01,5]dodeca-5,7,10-triene
PubChem CID102247250
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(1S,9R)-6-methoxy-8-methyl-12-oxatricyclo[7.2.1.01,5]dodeca-5,7,10-triene
SMILESCOC1=C2CCC[C@]23C=C[C@@H](O3)C(C)=C1
InChIInChI=1S/C13H16O2/c1-9-8-12(14-2)10-4-3-6-13(10)7-5-11(9)15-13/h5,7-8,11H,3-4,6H2,1-2H3/t11-,13+/m1/s1
InChIKeyMVEJMAVJNVRIAO-YPMHNXCESA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
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 (1S,9R)-6-methoxy-8-methyl-12-oxatricyclo[7.2.1.01,5]dodeca-5,7,10-triene?
The IUPAC name of (1S,9R)-6-methoxy-8-methyl-12-oxatricyclo[7.2.1.01,5]dodeca-5,7,10-triene (CID 102247250) is (1S,9R)-6-methoxy-8-methyl-12-oxatricyclo[7.2.1.01,5]dodeca-5,7,10-triene.
What is the SMILES notation for (1S,9R)-6-methoxy-8-methyl-12-oxatricyclo[7.2.1.01,5]dodeca-5,7,10-triene?
The canonical SMILES for (1S,9R)-6-methoxy-8-methyl-12-oxatricyclo[7.2.1.01,5]dodeca-5,7,10-triene is COC1=C2CCC[C@]23C=C[C@@H](O3)C(C)=C1.
What is the InChIKey of (1S,9R)-6-methoxy-8-methyl-12-oxatricyclo[7.2.1.01,5]dodeca-5,7,10-triene?
The InChIKey is MVEJMAVJNVRIAO-YPMHNXCESA-N. The full InChI is InChI=1S/C13H16O2/c1-9-8-12(14-2)10-4-3-6-13(10)7-5-11(9)15-13/h5,7-8,11H,3-4,6H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of (1S,9R)-6-methoxy-8-methyl-12-oxatricyclo[7.2.1.01,5]dodeca-5,7,10-triene?
(1S,9R)-6-methoxy-8-methyl-12-oxatricyclo[7.2.1.01,5]dodeca-5,7,10-triene has a molecular weight of 204.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R)-6-methoxy-8-methyl-12-oxatricyclo[7.2.1.01,5]dodeca-5,7,10-triene is sourced from PubChem (CID 102247250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).