7,10-dimethyl-5-oxatricyclo[7.1.1.02,6]undeca-2(6),3,7-triene

C12H14O — CID 70331779

IUPAC7,10-dimethyl-5-oxatricyclo[7.1.1.02,6]undeca-2(6),3,7-triene
SMILESCC1=CC2CC(c3ccoc31)C2C
InChIInChI=1S/C12H14O/c1-7-5-9-6-11(8(9)2)10-3-4-13-12(7)10/h3-5,8-9,11H,6H2,1-2H3
InChIKeyJSCQGOCBUZSTMZ-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.44
Rot. Bonds

About 7,10-dimethyl-5-oxatricyclo[7.1.1.02,6]undeca-2(6),3,7-triene

7,10-dimethyl-5-oxatricyclo[7.1.1.02,6]undeca-2(6),3,7-triene (PubChem CID 70331779) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 7,10-dimethyl-5-oxatricyclo[7.1.1.02,6]undeca-2(6),3,7-triene.

Molecular Properties

Compound Name7,10-dimethyl-5-oxatricyclo[7.1.1.02,6]undeca-2(6),3,7-triene
PubChem CID70331779
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name7,10-dimethyl-5-oxatricyclo[7.1.1.02,6]undeca-2(6),3,7-triene
SMILESCC1=CC2CC(c3ccoc31)C2C
InChIInChI=1S/C12H14O/c1-7-5-9-6-11(8(9)2)10-3-4-13-12(7)10/h3-5,8-9,11H,6H2,1-2H3
InChIKeyJSCQGOCBUZSTMZ-UHFFFAOYSA-N
XLogP3.44
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,10-dimethyl-5-oxatricyclo[7.1.1.02,6]undeca-2(6),3,7-triene 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 7,10-dimethyl-5-oxatricyclo[7.1.1.02,6]undeca-2(6),3,7-triene?
The IUPAC name of 7,10-dimethyl-5-oxatricyclo[7.1.1.02,6]undeca-2(6),3,7-triene (CID 70331779) is 7,10-dimethyl-5-oxatricyclo[7.1.1.02,6]undeca-2(6),3,7-triene.
What is the SMILES notation for 7,10-dimethyl-5-oxatricyclo[7.1.1.02,6]undeca-2(6),3,7-triene?
The canonical SMILES for 7,10-dimethyl-5-oxatricyclo[7.1.1.02,6]undeca-2(6),3,7-triene is CC1=CC2CC(c3ccoc31)C2C.
What is the InChIKey of 7,10-dimethyl-5-oxatricyclo[7.1.1.02,6]undeca-2(6),3,7-triene?
The InChIKey is JSCQGOCBUZSTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-7-5-9-6-11(8(9)2)10-3-4-13-12(7)10/h3-5,8-9,11H,6H2,1-2H3.
What are the key properties of 7,10-dimethyl-5-oxatricyclo[7.1.1.02,6]undeca-2(6),3,7-triene?
7,10-dimethyl-5-oxatricyclo[7.1.1.02,6]undeca-2(6),3,7-triene has a molecular weight of 174.24 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethyl-5-oxatricyclo[7.1.1.02,6]undeca-2(6),3,7-triene is sourced from PubChem (CID 70331779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).