(1S,2R,4S,5R)-2,4-dimethoxybicyclo[3.2.2]non-6-ene

C11H18O2 — CID 15248266

IUPAC(1S,2R,4S,5R)-2,4-dimethoxybicyclo[3.2.2]non-6-ene
SMILESCO[C@H]1C[C@@H](OC)[C@@H]2C=C[C@H]1CC2
InChIInChI=1S/C11H18O2/c1-12-10-7-11(13-2)9-5-3-8(10)4-6-9/h3,5,8-11H,4,6-7H2,1-2H3/t8-,9+,10-,11+
InChIKeyZMNXBJHZUFBWLD-DTIDVZRVSA-N
MW182.26 g/mol
LogP2.00
Rot. Bonds2

About (1S,2R,4S,5R)-2,4-dimethoxybicyclo[3.2.2]non-6-ene

(1S,2R,4S,5R)-2,4-dimethoxybicyclo[3.2.2]non-6-ene (PubChem CID 15248266) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1S,2R,4S,5R)-2,4-dimethoxybicyclo[3.2.2]non-6-ene.

Molecular Properties

Compound Name(1S,2R,4S,5R)-2,4-dimethoxybicyclo[3.2.2]non-6-ene
PubChem CID15248266
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1S,2R,4S,5R)-2,4-dimethoxybicyclo[3.2.2]non-6-ene
SMILESCO[C@H]1C[C@@H](OC)[C@@H]2C=C[C@H]1CC2
InChIInChI=1S/C11H18O2/c1-12-10-7-11(13-2)9-5-3-8(10)4-6-9/h3,5,8-11H,4,6-7H2,1-2H3/t8-,9+,10-,11+
InChIKeyZMNXBJHZUFBWLD-DTIDVZRVSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,4S,5R)-2,4-dimethoxybicyclo[3.2.2]non-6-ene 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 (1S,2R,4S,5R)-2,4-dimethoxybicyclo[3.2.2]non-6-ene?
The IUPAC name of (1S,2R,4S,5R)-2,4-dimethoxybicyclo[3.2.2]non-6-ene (CID 15248266) is (1S,2R,4S,5R)-2,4-dimethoxybicyclo[3.2.2]non-6-ene.
What is the SMILES notation for (1S,2R,4S,5R)-2,4-dimethoxybicyclo[3.2.2]non-6-ene?
The canonical SMILES for (1S,2R,4S,5R)-2,4-dimethoxybicyclo[3.2.2]non-6-ene is CO[C@H]1C[C@@H](OC)[C@@H]2C=C[C@H]1CC2.
What is the InChIKey of (1S,2R,4S,5R)-2,4-dimethoxybicyclo[3.2.2]non-6-ene?
The InChIKey is ZMNXBJHZUFBWLD-DTIDVZRVSA-N. The full InChI is InChI=1S/C11H18O2/c1-12-10-7-11(13-2)9-5-3-8(10)4-6-9/h3,5,8-11H,4,6-7H2,1-2H3/t8-,9+,10-,11+.
What are the key properties of (1S,2R,4S,5R)-2,4-dimethoxybicyclo[3.2.2]non-6-ene?
(1S,2R,4S,5R)-2,4-dimethoxybicyclo[3.2.2]non-6-ene has a molecular weight of 182.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,5R)-2,4-dimethoxybicyclo[3.2.2]non-6-ene is sourced from PubChem (CID 15248266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).