1,5-dimethoxybicyclo[3.2.2]non-6-en-2-one

C11H16O3 — CID 579657

IUPAC1,5-dimethoxybicyclo[3.2.2]non-6-en-2-one
SMILESCOC12C=CC(OC)(CC1)C(=O)CC2
InChIInChI=1S/C11H16O3/c1-13-10-4-3-9(12)11(14-2,7-5-10)8-6-10/h5,7H,3-4,6,8H2,1-2H3
InChIKeyHNFIVFXSUQTJJF-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.47
Rot. Bonds2

About 1,5-dimethoxybicyclo[3.2.2]non-6-en-2-one

1,5-dimethoxybicyclo[3.2.2]non-6-en-2-one (PubChem CID 579657) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1,5-dimethoxybicyclo[3.2.2]non-6-en-2-one.

Molecular Properties

Compound Name1,5-dimethoxybicyclo[3.2.2]non-6-en-2-one
PubChem CID579657
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1,5-dimethoxybicyclo[3.2.2]non-6-en-2-one
SMILESCOC12C=CC(OC)(CC1)C(=O)CC2
InChIInChI=1S/C11H16O3/c1-13-10-4-3-9(12)11(14-2,7-5-10)8-6-10/h5,7H,3-4,6,8H2,1-2H3
InChIKeyHNFIVFXSUQTJJF-UHFFFAOYSA-N
XLogP1.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,5-dimethoxybicyclo[3.2.2]non-6-en-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-Methoxybicyclo[3.2.2]non-6-en-2-one
CID 13378430
Tricyclo[7.2.2.0(3,8)]trideca-5,12-dien-2-one, 1-methoxy-4-methyl-
CID 573564
1-Methoxybicyclo[3.2.2]non-6-en-2,4-dione
CID 68487175
(1S,3S,5R)-1-methoxy-3-methylbicyclo[3.2.2]non-6-en-2-one
CID 101588378
(1S,3S,5S)-1-methoxy-3-methylbicyclo[3.2.2]non-6-en-2-one
CID 101607045
(1R,3R,5R)-1-methoxy-3-methylbicyclo[3.2.2]non-6-en-2-one
CID 101607046

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxybicyclo[3.2.2]non-6-en-2-one?
The IUPAC name of 1,5-dimethoxybicyclo[3.2.2]non-6-en-2-one (CID 579657) is 1,5-dimethoxybicyclo[3.2.2]non-6-en-2-one.
What is the SMILES notation for 1,5-dimethoxybicyclo[3.2.2]non-6-en-2-one?
The canonical SMILES for 1,5-dimethoxybicyclo[3.2.2]non-6-en-2-one is COC12C=CC(OC)(CC1)C(=O)CC2.
What is the InChIKey of 1,5-dimethoxybicyclo[3.2.2]non-6-en-2-one?
The InChIKey is HNFIVFXSUQTJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-13-10-4-3-9(12)11(14-2,7-5-10)8-6-10/h5,7H,3-4,6,8H2,1-2H3.
What are the key properties of 1,5-dimethoxybicyclo[3.2.2]non-6-en-2-one?
1,5-dimethoxybicyclo[3.2.2]non-6-en-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxybicyclo[3.2.2]non-6-en-2-one is sourced from PubChem (CID 579657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).