2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione

C12H10O4 — CID 56589909

IUPAC2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione
SMILESCOc1c2c(c(OC)c3c1CC3=O)C(=O)C2
InChIInChI=1S/C12H10O4/c1-15-11-5-3-7(13)9(5)12(16-2)10-6(11)4-8(10)14/h3-4H2,1-2H3
InChIKeyATZCINMWHTYEEC-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.18
Rot. Bonds2

About 2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione

2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione (PubChem CID 56589909) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione.

Molecular Properties

Compound Name2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione
PubChem CID56589909
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione
SMILESCOc1c2c(c(OC)c3c1CC3=O)C(=O)C2
InChIInChI=1S/C12H10O4/c1-15-11-5-3-7(13)9(5)12(16-2)10-6(11)4-8(10)14/h3-4H2,1-2H3
InChIKeyATZCINMWHTYEEC-UHFFFAOYSA-N
XLogP1.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione?
The IUPAC name of 2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione (CID 56589909) is 2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione.
What is the SMILES notation for 2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione?
The canonical SMILES for 2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione is COc1c2c(c(OC)c3c1CC3=O)C(=O)C2.
What is the InChIKey of 2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione?
The InChIKey is ATZCINMWHTYEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-15-11-5-3-7(13)9(5)12(16-2)10-6(11)4-8(10)14/h3-4H2,1-2H3.
What are the key properties of 2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione?
2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione has a molecular weight of 218.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione is sourced from PubChem (CID 56589909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).