9-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene

C12H14O — CID 13272593

IUPAC9-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCOC1CC2CC1c1ccccc12
InChIInChI=1S/C12H14O/c1-13-12-7-8-6-11(12)10-5-3-2-4-9(8)10/h2-5,8,11-12H,6-7H2,1H3
InChIKeyTVYHSQYEKXFQRZ-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.68
Rot. Bonds1

About 9-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene

9-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 13272593) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 9-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name9-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID13272593
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name9-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCOC1CC2CC1c1ccccc12
InChIInChI=1S/C12H14O/c1-13-12-7-8-6-11(12)10-5-3-2-4-9(8)10/h2-5,8,11-12H,6-7H2,1H3
InChIKeyTVYHSQYEKXFQRZ-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of 9-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 13272593) is 9-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 9-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 9-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene is COC1CC2CC1c1ccccc12.
What is the InChIKey of 9-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is TVYHSQYEKXFQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-13-12-7-8-6-11(12)10-5-3-2-4-9(8)10/h2-5,8,11-12H,6-7H2,1H3.
What are the key properties of 9-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene?
9-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 174.24 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 13272593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).