1-methoxybicyclo[4.2.2]deca-7,9-diene

C11H16O — CID 14040623

IUPAC1-methoxybicyclo[4.2.2]deca-7,9-diene
SMILESCOC12C=CC(C=C1)CCCC2
InChIInChI=1S/C11H16O/c1-12-11-7-3-2-4-10(5-8-11)6-9-11/h5-6,8-10H,2-4,7H2,1H3
InChIKeyMMOTZLBUFLTWCP-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.69
Rot. Bonds1

About 1-methoxybicyclo[4.2.2]deca-7,9-diene

1-methoxybicyclo[4.2.2]deca-7,9-diene (PubChem CID 14040623) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-methoxybicyclo[4.2.2]deca-7,9-diene.

Molecular Properties

Compound Name1-methoxybicyclo[4.2.2]deca-7,9-diene
PubChem CID14040623
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-methoxybicyclo[4.2.2]deca-7,9-diene
SMILESCOC12C=CC(C=C1)CCCC2
InChIInChI=1S/C11H16O/c1-12-11-7-3-2-4-10(5-8-11)6-9-11/h5-6,8-10H,2-4,7H2,1H3
InChIKeyMMOTZLBUFLTWCP-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methoxybicyclo[4.2.2]deca-7,9-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxybicyclo[4.2.2]deca-7,9-diene?
The IUPAC name of 1-methoxybicyclo[4.2.2]deca-7,9-diene (CID 14040623) is 1-methoxybicyclo[4.2.2]deca-7,9-diene.
What is the SMILES notation for 1-methoxybicyclo[4.2.2]deca-7,9-diene?
The canonical SMILES for 1-methoxybicyclo[4.2.2]deca-7,9-diene is COC12C=CC(C=C1)CCCC2.
What is the InChIKey of 1-methoxybicyclo[4.2.2]deca-7,9-diene?
The InChIKey is MMOTZLBUFLTWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-12-11-7-3-2-4-10(5-8-11)6-9-11/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of 1-methoxybicyclo[4.2.2]deca-7,9-diene?
1-methoxybicyclo[4.2.2]deca-7,9-diene has a molecular weight of 164.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybicyclo[4.2.2]deca-7,9-diene is sourced from PubChem (CID 14040623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).