2-oxabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraene

C11H12O — CID 89311207

IUPAC2-oxabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraene
SMILESC1=CC2=C(C=CC1)OCCC=C2
InChIInChI=1S/C11H12O/c1-2-6-10-7-4-5-9-12-11(10)8-3-1/h2-4,6-8H,1,5,9H2
InChIKeyYSKOQUKJBGCCGA-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.73
Rot. Bonds

About 2-oxabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraene

2-oxabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraene (PubChem CID 89311207) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-oxabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraene.

Molecular Properties

Compound Name2-oxabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraene
PubChem CID89311207
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name2-oxabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraene
SMILESC1=CC2=C(C=CC1)OCCC=C2
InChIInChI=1S/C11H12O/c1-2-6-10-7-4-5-9-12-11(10)8-3-1/h2-4,6-8H,1,5,9H2
InChIKeyYSKOQUKJBGCCGA-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraene?
The IUPAC name of 2-oxabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraene (CID 89311207) is 2-oxabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraene.
What is the SMILES notation for 2-oxabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraene?
The canonical SMILES for 2-oxabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraene is C1=CC2=C(C=CC1)OCCC=C2.
What is the InChIKey of 2-oxabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraene?
The InChIKey is YSKOQUKJBGCCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-2-6-10-7-4-5-9-12-11(10)8-3-1/h2-4,6-8H,1,5,9H2.
What are the key properties of 2-oxabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraene?
2-oxabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraene has a molecular weight of 160.22 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraene is sourced from PubChem (CID 89311207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).