1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

C11H10O — CID 12895915

IUPAC1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESCC12C=CC(O1)c1ccccc12
InChIInChI=1S/C11H10O/c1-11-7-6-10(12-11)8-4-2-3-5-9(8)11/h2-7,10H,1H3
InChIKeyMQUQKIJUGILZCJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.54
Rot. Bonds

About 1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (PubChem CID 12895915) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
PubChem CID12895915
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESCC12C=CC(O1)c1ccccc12
InChIInChI=1S/C11H10O/c1-11-7-6-10(12-11)8-4-2-3-5-9(8)11/h2-7,10H,1H3
InChIKeyMQUQKIJUGILZCJ-UHFFFAOYSA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.54
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 1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The IUPAC name of 1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (CID 12895915) is 1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.
What is the SMILES notation for 1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The canonical SMILES for 1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is CC12C=CC(O1)c1ccccc12.
What is the InChIKey of 1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The InChIKey is MQUQKIJUGILZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-11-7-6-10(12-11)8-4-2-3-5-9(8)11/h2-7,10H,1H3.
What are the key properties of 1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene has a molecular weight of 158.20 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is sourced from PubChem (CID 12895915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).