4,4,5,11-tetramethyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione

C14H14O5 — CID 12027689

IUPAC4,4,5,11-tetramethyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione
SMILESCc1cc2oc(=O)c3c(c2c(=O)o1)OC(C)(C)C3C
InChIInChI=1S/C14H14O5/c1-6-5-8-10(13(16)17-6)11-9(12(15)18-8)7(2)14(3,4)19-11/h5,7H,1-4H3
InChIKeyIKHWOQHOXURHDF-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.33
Rot. Bonds

About 4,4,5,11-tetramethyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione

4,4,5,11-tetramethyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione (PubChem CID 12027689) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4,4,5,11-tetramethyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione.

Molecular Properties

Compound Name4,4,5,11-tetramethyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione
PubChem CID12027689
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name4,4,5,11-tetramethyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione
SMILESCc1cc2oc(=O)c3c(c2c(=O)o1)OC(C)(C)C3C
InChIInChI=1S/C14H14O5/c1-6-5-8-10(13(16)17-6)11-9(12(15)18-8)7(2)14(3,4)19-11/h5,7H,1-4H3
InChIKeyIKHWOQHOXURHDF-UHFFFAOYSA-N
XLogP2.33
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,4,5,11-tetramethyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione with MolForge

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Related Compounds

(1S,9S)-5-methyl-4,8,12-trioxatricyclo[7.4.0.02,7]trideca-2(7),5,10-trien-3-one
CID 102526054
(1S,9R)-5-methyl-4,8,12-trioxatricyclo[7.4.0.02,7]trideca-2(7),5,10-trien-3-one
CID 134965802
Rac-1-methyl-5,6-dicarbomethoxy-7-oxanorbornadiene
CID 177838526
4,4-Diethyl-11-methyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione
CID 12027690
2,2,3,6-tetramethyl-3H-furo[3,2-c]pyran-4-one
CID 15855951

Frequently Asked Questions

What is the IUPAC name of 4,4,5,11-tetramethyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione?
The IUPAC name of 4,4,5,11-tetramethyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione (CID 12027689) is 4,4,5,11-tetramethyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione.
What is the SMILES notation for 4,4,5,11-tetramethyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione?
The canonical SMILES for 4,4,5,11-tetramethyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione is Cc1cc2oc(=O)c3c(c2c(=O)o1)OC(C)(C)C3C.
What is the InChIKey of 4,4,5,11-tetramethyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione?
The InChIKey is IKHWOQHOXURHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c1-6-5-8-10(13(16)17-6)11-9(12(15)18-8)7(2)14(3,4)19-11/h5,7H,1-4H3.
What are the key properties of 4,4,5,11-tetramethyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione?
4,4,5,11-tetramethyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione has a molecular weight of 262.26 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,11-tetramethyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione is sourced from PubChem (CID 12027689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).