7-oxatricyclo[7.3.0.02,6]dodeca-1,3,5,9,11-pentaene

C11H8O — CID 89396709

IUPAC7-oxatricyclo[7.3.0.02,6]dodeca-1,3,5,9,11-pentaene
SMILESC1=CC2=C3C=CC=C3OCC2=C1
InChIInChI=1S/C11H8O/c1-3-8-7-12-11-6-2-5-10(11)9(8)4-1/h1-6H,7H2
InChIKeyYUXMFIYXJHXMQU-UHFFFAOYSA-N
MW156.18 g/mol
LogP2.26
Rot. Bonds

About 7-oxatricyclo[7.3.0.02,6]dodeca-1,3,5,9,11-pentaene

7-oxatricyclo[7.3.0.02,6]dodeca-1,3,5,9,11-pentaene (PubChem CID 89396709) has the molecular formula C11H8O and a molecular weight of 156.18 g/mol. Its IUPAC name is 7-oxatricyclo[7.3.0.02,6]dodeca-1,3,5,9,11-pentaene.

Molecular Properties

Compound Name7-oxatricyclo[7.3.0.02,6]dodeca-1,3,5,9,11-pentaene
PubChem CID89396709
Molecular FormulaC11H8O
Molecular Weight156.18 g/mol
Exact Mass156.06
IUPAC Name7-oxatricyclo[7.3.0.02,6]dodeca-1,3,5,9,11-pentaene
SMILESC1=CC2=C3C=CC=C3OCC2=C1
InChIInChI=1S/C11H8O/c1-3-8-7-12-11-6-2-5-10(11)9(8)4-1/h1-6H,7H2
InChIKeyYUXMFIYXJHXMQU-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-oxatricyclo[7.3.0.02,6]dodeca-1,3,5,9,11-pentaene?
The IUPAC name of 7-oxatricyclo[7.3.0.02,6]dodeca-1,3,5,9,11-pentaene (CID 89396709) is 7-oxatricyclo[7.3.0.02,6]dodeca-1,3,5,9,11-pentaene.
What is the SMILES notation for 7-oxatricyclo[7.3.0.02,6]dodeca-1,3,5,9,11-pentaene?
The canonical SMILES for 7-oxatricyclo[7.3.0.02,6]dodeca-1,3,5,9,11-pentaene is C1=CC2=C3C=CC=C3OCC2=C1.
What is the InChIKey of 7-oxatricyclo[7.3.0.02,6]dodeca-1,3,5,9,11-pentaene?
The InChIKey is YUXMFIYXJHXMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O/c1-3-8-7-12-11-6-2-5-10(11)9(8)4-1/h1-6H,7H2.
What are the key properties of 7-oxatricyclo[7.3.0.02,6]dodeca-1,3,5,9,11-pentaene?
7-oxatricyclo[7.3.0.02,6]dodeca-1,3,5,9,11-pentaene has a molecular weight of 156.18 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxatricyclo[7.3.0.02,6]dodeca-1,3,5,9,11-pentaene is sourced from PubChem (CID 89396709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).