2-(oxetan-2-yloxy)-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-5-one

C10H6O5 — CID 130238777

IUPAC2-(oxetan-2-yloxy)-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-5-one
SMILESO=C1Oc2c(OC3CCO3)c3cc1c2o3
InChIInChI=1S/C10H6O5/c11-10-4-3-5-8(14-6-1-2-12-6)9(15-10)7(4)13-5/h3,6H,1-2H2
InChIKeyKGLCKUXLFXQSQL-UHFFFAOYSA-N
MW206.15 g/mol
LogP1.53
Rot. Bonds2

About 2-(oxetan-2-yloxy)-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-5-one

2-(oxetan-2-yloxy)-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-5-one (PubChem CID 130238777) has the molecular formula C10H6O5 and a molecular weight of 206.15 g/mol. Its IUPAC name is 2-(oxetan-2-yloxy)-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-5-one.

Molecular Properties

Compound Name2-(oxetan-2-yloxy)-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-5-one
PubChem CID130238777
Molecular FormulaC10H6O5
Molecular Weight206.15 g/mol
Exact Mass206.02
IUPAC Name2-(oxetan-2-yloxy)-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-5-one
SMILESO=C1Oc2c(OC3CCO3)c3cc1c2o3
InChIInChI=1S/C10H6O5/c11-10-4-3-5-8(14-6-1-2-12-6)9(15-10)7(4)13-5/h3,6H,1-2H2
InChIKeyKGLCKUXLFXQSQL-UHFFFAOYSA-N
XLogP1.53
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-2-yloxy)-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-5-one?
The IUPAC name of 2-(oxetan-2-yloxy)-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-5-one (CID 130238777) is 2-(oxetan-2-yloxy)-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-5-one.
What is the SMILES notation for 2-(oxetan-2-yloxy)-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-5-one?
The canonical SMILES for 2-(oxetan-2-yloxy)-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-5-one is O=C1Oc2c(OC3CCO3)c3cc1c2o3.
What is the InChIKey of 2-(oxetan-2-yloxy)-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-5-one?
The InChIKey is KGLCKUXLFXQSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O5/c11-10-4-3-5-8(14-6-1-2-12-6)9(15-10)7(4)13-5/h3,6H,1-2H2.
What are the key properties of 2-(oxetan-2-yloxy)-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-5-one?
2-(oxetan-2-yloxy)-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-5-one has a molecular weight of 206.15 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-2-yloxy)-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-5-one is sourced from PubChem (CID 130238777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).