(1S,8R)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione

C13H14O3 — CID 10943926

IUPAC(1S,8R)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
SMILESCOC1=CC(=O)C2(C)C(C1=O)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C13H14O3/c1-13-8-4-3-7(5-8)11(13)12(15)9(16-2)6-10(13)14/h3-4,6-8,11H,5H2,1-2H3/t7-,8+,11?,13?/m0/s1
InChIKeyORIUDBXETCPCDO-MAFAZFBRSA-N
MW218.25 g/mol
LogP1.50
Rot. Bonds1

About (1S,8R)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione

(1S,8R)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione (PubChem CID 10943926) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (1S,8R)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione.

Molecular Properties

Compound Name(1S,8R)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
PubChem CID10943926
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(1S,8R)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
SMILESCOC1=CC(=O)C2(C)C(C1=O)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C13H14O3/c1-13-8-4-3-7(5-8)11(13)12(15)9(16-2)6-10(13)14/h3-4,6-8,11H,5H2,1-2H3/t7-,8+,11?,13?/m0/s1
InChIKeyORIUDBXETCPCDO-MAFAZFBRSA-N
XLogP1.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,8R)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione 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

4-Methoxy-1,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 2750836
(1S,3S,3aS,6S,6aS,10aR)-8-methoxy-3,6,9-trimethyl-1-(2-methylprop-1-enyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[e]naphthalene-7,10-dione
CID 11255928
(3aS,3bR,6aS,7aR)-5-methoxy-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione
CID 13284025
(3R,3aS,7aR)-6-methoxy-7a-methyl-3-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-5-one
CID 51003021
(3aR,6aR)-2-ethoxy-5,5-dimethyl-3a,4,6,6a-tetrahydropentalen-1-one
CID 101274662
(4aR,8aS)-2-methoxy-8a-methyl-3-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 101358444
(1R,2S,7S,8R)-1-(2-bromoprop-2-enyl)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 102515851
(2S,8R)-5-oxatetracyclo[7.2.1.02,8.04,6]dodeca-4(6),10-diene-3,7-dione
CID 10219736
1,4,4a, 8a-Tetrahydro-6-methoxy-1,4-methanonaphthalene-5,8-dione
CID 13284018
4,5-Dimethoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 14607457
1,4-Dihydro-6-methoxy-1,4-methanonaphthalene-5,8-dione
CID 19710581
1,2,3,4-Tetrahydro-6-methoxy-1,4-methanonaphthalene-5,8-dione
CID 19710589

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The IUPAC name of (1S,8R)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione (CID 10943926) is (1S,8R)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione.
What is the SMILES notation for (1S,8R)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The canonical SMILES for (1S,8R)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione is COC1=CC(=O)C2(C)C(C1=O)[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1S,8R)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The InChIKey is ORIUDBXETCPCDO-MAFAZFBRSA-N. The full InChI is InChI=1S/C13H14O3/c1-13-8-4-3-7(5-8)11(13)12(15)9(16-2)6-10(13)14/h3-4,6-8,11H,5H2,1-2H3/t7-,8+,11?,13?/m0/s1.
What are the key properties of (1S,8R)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
(1S,8R)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione has a molecular weight of 218.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-5-methoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione is sourced from PubChem (CID 10943926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).