(1E,3E,8E,10E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene

C12H12O2 — CID 139250117

IUPAC(1E,3E,8E,10E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene
SMILESC1=C2/COC/C2=C/C=C2/COC/C2=C/1
InChIInChI=1S/C12H12O2/c1-2-10-6-14-8-12(10)4-3-11-7-13-5-9(1)11/h1-4H,5-8H2/b2-1-,4-3-,9-1-,10-2-,11-3-,12-4-
InChIKeyAWNQQIZBUXURSX-TVIUXHAYSA-N
MW188.23 g/mol
LogP1.77
Rot. Bonds

About (1E,3E,8E,10E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene

(1E,3E,8E,10E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene (PubChem CID 139250117) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (1E,3E,8E,10E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene.

Molecular Properties

Compound Name(1E,3E,8E,10E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene
PubChem CID139250117
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(1E,3E,8E,10E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene
SMILESC1=C2/COC/C2=C/C=C2/COC/C2=C/1
InChIInChI=1S/C12H12O2/c1-2-10-6-14-8-12(10)4-3-11-7-13-5-9(1)11/h1-4H,5-8H2/b2-1-,4-3-,9-1-,10-2-,11-3-,12-4-
InChIKeyAWNQQIZBUXURSX-TVIUXHAYSA-N
XLogP1.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,8E,10E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene?
The IUPAC name of (1E,3E,8E,10E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene (CID 139250117) is (1E,3E,8E,10E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene.
What is the SMILES notation for (1E,3E,8E,10E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene?
The canonical SMILES for (1E,3E,8E,10E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene is C1=C2/COC/C2=C/C=C2/COC/C2=C/1.
What is the InChIKey of (1E,3E,8E,10E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene?
The InChIKey is AWNQQIZBUXURSX-TVIUXHAYSA-N. The full InChI is InChI=1S/C12H12O2/c1-2-10-6-14-8-12(10)4-3-11-7-13-5-9(1)11/h1-4H,5-8H2/b2-1-,4-3-,9-1-,10-2-,11-3-,12-4-.
What are the key properties of (1E,3E,8E,10E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene?
(1E,3E,8E,10E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene has a molecular weight of 188.23 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,8E,10E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene is sourced from PubChem (CID 139250117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).