9-methoxy-6-methyltricyclo[7.2.2.02,7]trideca-4,10-dien-8-one

C15H20O2 — CID 573564

IUPAC9-methoxy-6-methyltricyclo[7.2.2.02,7]trideca-4,10-dien-8-one
SMILESCOC12C=CC(CC1)C1CC=CC(C)C1C2=O
InChIInChI=1S/C15H20O2/c1-10-4-3-5-12-11-6-8-15(17-2,9-7-11)14(16)13(10)12/h3-4,6,8,10-13H,5,7,9H2,1-2H3
InChIKeyPPJDWOIFNJQNIV-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.75
Rot. Bonds1

About 9-methoxy-6-methyltricyclo[7.2.2.02,7]trideca-4,10-dien-8-one

9-methoxy-6-methyltricyclo[7.2.2.02,7]trideca-4,10-dien-8-one (PubChem CID 573564) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 9-methoxy-6-methyltricyclo[7.2.2.02,7]trideca-4,10-dien-8-one.

Molecular Properties

Compound Name9-methoxy-6-methyltricyclo[7.2.2.02,7]trideca-4,10-dien-8-one
PubChem CID573564
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name9-methoxy-6-methyltricyclo[7.2.2.02,7]trideca-4,10-dien-8-one
SMILESCOC12C=CC(CC1)C1CC=CC(C)C1C2=O
InChIInChI=1S/C15H20O2/c1-10-4-3-5-12-11-6-8-15(17-2,9-7-11)14(16)13(10)12/h3-4,6,8,10-13H,5,7,9H2,1-2H3
InChIKeyPPJDWOIFNJQNIV-UHFFFAOYSA-N
XLogP2.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,5S,6R)-2-acetyl-12-oxatricyclo[4.4.1.12,5]dodec-3-en-11-one
CID 76311900
1-Methoxybicyclo[3.2.2]non-6-en-2-one
CID 13378430
(1S,4aS,9aR)-1-methoxy-1,4,4a,6,7,8,9,9a-octahydrobenzo[7]annulen-5-one
CID 134992228
1,5-Dimethoxybicyclo(3.2.2)non-6-EN-2-one
CID 579657
1-Methoxy-6-methylbicyclo[3.2.2]non-6-en-2-one
CID 13572565
1-Methoxy-4-methylbicyclo(3.2.2)nona-3,6-dien-2-one
CID 101320307
1-Methoxybicyclo[3.2.2]non-6-en-2,4-dione
CID 68487175
1-(1-Methoxy-2-methylcyclohexa-2,5-dien-1-yl)heptan-1-one
CID 149647284
1-(1-Methoxycyclohexa-2,5-dien-1-yl)hexan-1-one
CID 150586444
Cyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone
CID 150802725
1-(1-Methoxy-2,3-dimethylcyclohexa-2,5-dien-1-yl)decan-1-one
CID 151559267
3-Ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-1-one
CID 151659680

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6-methyltricyclo[7.2.2.02,7]trideca-4,10-dien-8-one?
The IUPAC name of 9-methoxy-6-methyltricyclo[7.2.2.02,7]trideca-4,10-dien-8-one (CID 573564) is 9-methoxy-6-methyltricyclo[7.2.2.02,7]trideca-4,10-dien-8-one.
What is the SMILES notation for 9-methoxy-6-methyltricyclo[7.2.2.02,7]trideca-4,10-dien-8-one?
The canonical SMILES for 9-methoxy-6-methyltricyclo[7.2.2.02,7]trideca-4,10-dien-8-one is COC12C=CC(CC1)C1CC=CC(C)C1C2=O.
What is the InChIKey of 9-methoxy-6-methyltricyclo[7.2.2.02,7]trideca-4,10-dien-8-one?
The InChIKey is PPJDWOIFNJQNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-4-3-5-12-11-6-8-15(17-2,9-7-11)14(16)13(10)12/h3-4,6,8,10-13H,5,7,9H2,1-2H3.
What are the key properties of 9-methoxy-6-methyltricyclo[7.2.2.02,7]trideca-4,10-dien-8-one?
9-methoxy-6-methyltricyclo[7.2.2.02,7]trideca-4,10-dien-8-one has a molecular weight of 232.32 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6-methyltricyclo[7.2.2.02,7]trideca-4,10-dien-8-one is sourced from PubChem (CID 573564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).