2,4-dioxatricyclo[6.4.0.03,5]dodeca-1(8),3(5),6,11-tetraene

C10H8O2 — CID 54499321

IUPAC2,4-dioxatricyclo[6.4.0.03,5]dodeca-1(8),3(5),6,11-tetraene
SMILESC1=Cc2oc3oc=3ccc2CC1
InChIInChI=1S/C10H8O2/c1-2-4-8-7(3-1)5-6-9-10(11-8)12-9/h2,4-6H,1,3H2
InChIKeyYBIBMYWJLVVMLJ-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.56
Rot. Bonds

About 2,4-dioxatricyclo[6.4.0.03,5]dodeca-1(8),3(5),6,11-tetraene

2,4-dioxatricyclo[6.4.0.03,5]dodeca-1(8),3(5),6,11-tetraene (PubChem CID 54499321) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2,4-dioxatricyclo[6.4.0.03,5]dodeca-1(8),3(5),6,11-tetraene.

Molecular Properties

Compound Name2,4-dioxatricyclo[6.4.0.03,5]dodeca-1(8),3(5),6,11-tetraene
PubChem CID54499321
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name2,4-dioxatricyclo[6.4.0.03,5]dodeca-1(8),3(5),6,11-tetraene
SMILESC1=Cc2oc3oc=3ccc2CC1
InChIInChI=1S/C10H8O2/c1-2-4-8-7(3-1)5-6-9-10(11-8)12-9/h2,4-6H,1,3H2
InChIKeyYBIBMYWJLVVMLJ-UHFFFAOYSA-N
XLogP2.56
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxatricyclo[6.4.0.03,5]dodeca-1(8),3(5),6,11-tetraene?
The IUPAC name of 2,4-dioxatricyclo[6.4.0.03,5]dodeca-1(8),3(5),6,11-tetraene (CID 54499321) is 2,4-dioxatricyclo[6.4.0.03,5]dodeca-1(8),3(5),6,11-tetraene.
What is the SMILES notation for 2,4-dioxatricyclo[6.4.0.03,5]dodeca-1(8),3(5),6,11-tetraene?
The canonical SMILES for 2,4-dioxatricyclo[6.4.0.03,5]dodeca-1(8),3(5),6,11-tetraene is C1=Cc2oc3oc=3ccc2CC1.
What is the InChIKey of 2,4-dioxatricyclo[6.4.0.03,5]dodeca-1(8),3(5),6,11-tetraene?
The InChIKey is YBIBMYWJLVVMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c1-2-4-8-7(3-1)5-6-9-10(11-8)12-9/h2,4-6H,1,3H2.
What are the key properties of 2,4-dioxatricyclo[6.4.0.03,5]dodeca-1(8),3(5),6,11-tetraene?
2,4-dioxatricyclo[6.4.0.03,5]dodeca-1(8),3(5),6,11-tetraene has a molecular weight of 160.17 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxatricyclo[6.4.0.03,5]dodeca-1(8),3(5),6,11-tetraene is sourced from PubChem (CID 54499321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).