11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene

C12H16O — CID 14737390

IUPAC11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene
SMILESCOc1c2cccc1CCCCC2
InChIInChI=1S/C12H16O/c1-13-12-10-6-3-2-4-7-11(12)9-5-8-10/h5,8-9H,2-4,6-7H2,1H3
InChIKeyPJTMLBMSONXNNZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.96
Rot. Bonds1

About 11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene

11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene (PubChem CID 14737390) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene.

Molecular Properties

Compound Name11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene
PubChem CID14737390
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene
SMILESCOc1c2cccc1CCCCC2
InChIInChI=1S/C12H16O/c1-13-12-10-6-3-2-4-7-11(12)9-5-8-10/h5,8-9H,2-4,6-7H2,1H3
InChIKeyPJTMLBMSONXNNZ-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene?
The IUPAC name of 11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene (CID 14737390) is 11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene.
What is the SMILES notation for 11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene?
The canonical SMILES for 11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene is COc1c2cccc1CCCCC2.
What is the InChIKey of 11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene?
The InChIKey is PJTMLBMSONXNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-13-12-10-6-3-2-4-7-11(12)9-5-8-10/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene?
11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene has a molecular weight of 176.26 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene is sourced from PubChem (CID 14737390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).