7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene

C15H22O — CID 163038244

IUPAC7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene
SMILESC=C1C2CC(C)(C)C2CCC(C)=CC2OC12
InChIInChI=1S/C15H22O/c1-9-5-6-12-11(8-15(12,3)4)10(2)14-13(7-9)16-14/h7,11-14H,2,5-6,8H2,1,3-4H3
InChIKeyZNEXISBKZUKEQK-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.71
Rot. Bonds

About 7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene

7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene (PubChem CID 163038244) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene.

Molecular Properties

Compound Name7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene
PubChem CID163038244
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene
SMILESC=C1C2CC(C)(C)C2CCC(C)=CC2OC12
InChIInChI=1S/C15H22O/c1-9-5-6-12-11(8-15(12,3)4)10(2)14-13(7-9)16-14/h7,11-14H,2,5-6,8H2,1,3-4H3
InChIKeyZNEXISBKZUKEQK-UHFFFAOYSA-N
XLogP3.71
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-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 7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene?
The IUPAC name of 7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene (CID 163038244) is 7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene.
What is the SMILES notation for 7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene?
The canonical SMILES for 7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene is C=C1C2CC(C)(C)C2CCC(C)=CC2OC12.
What is the InChIKey of 7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene?
The InChIKey is ZNEXISBKZUKEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-9-5-6-12-11(8-15(12,3)4)10(2)14-13(7-9)16-14/h7,11-14H,2,5-6,8H2,1,3-4H3.
What are the key properties of 7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene?
7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene has a molecular weight of 218.34 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene is sourced from PubChem (CID 163038244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).