4-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene

C9H6O3 — CID 167236717

IUPAC4-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
SMILESCc1cc2c(o1)oc1occc12
InChIInChI=1S/C9H6O3/c1-5-4-7-6-2-3-10-8(6)12-9(7)11-5/h2-4H,1H3
InChIKeyJBDLGWUVWXDCTC-UHFFFAOYSA-N
MW162.14 g/mol
LogP3.08
Rot. Bonds

About 4-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene

4-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene (PubChem CID 167236717) has the molecular formula C9H6O3 and a molecular weight of 162.14 g/mol. Its IUPAC name is 4-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene.

Molecular Properties

Compound Name4-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
PubChem CID167236717
Molecular FormulaC9H6O3
Molecular Weight162.14 g/mol
Exact Mass162.03
IUPAC Name4-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
SMILESCc1cc2c(o1)oc1occc12
InChIInChI=1S/C9H6O3/c1-5-4-7-6-2-3-10-8(6)12-9(7)11-5/h2-4H,1H3
InChIKeyJBDLGWUVWXDCTC-UHFFFAOYSA-N
XLogP3.08
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The IUPAC name of 4-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene (CID 167236717) is 4-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene.
What is the SMILES notation for 4-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The canonical SMILES for 4-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene is Cc1cc2c(o1)oc1occc12.
What is the InChIKey of 4-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The InChIKey is JBDLGWUVWXDCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O3/c1-5-4-7-6-2-3-10-8(6)12-9(7)11-5/h2-4H,1H3.
What are the key properties of 4-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
4-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene has a molecular weight of 162.14 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene is sourced from PubChem (CID 167236717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).