2-oxatricyclo[6.4.0.04,12]dodeca-1(8),3,6,9,11-pentaene

C11H8O — CID 131851598

IUPAC2-oxatricyclo[6.4.0.04,12]dodeca-1(8),3,6,9,11-pentaene
SMILESC1=Cc2cccc3c(coc23)C1
InChIInChI=1S/C11H8O/c1-3-8-4-2-6-10-9(5-1)7-12-11(8)10/h1-4,6-7H,5H2
InChIKeyBZBCLCHLCRQHQZ-UHFFFAOYSA-N
MW156.18 g/mol
LogP3.00
Rot. Bonds

About 2-oxatricyclo[6.4.0.04,12]dodeca-1(8),3,6,9,11-pentaene

2-oxatricyclo[6.4.0.04,12]dodeca-1(8),3,6,9,11-pentaene (PubChem CID 131851598) has the molecular formula C11H8O and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-oxatricyclo[6.4.0.04,12]dodeca-1(8),3,6,9,11-pentaene.

Molecular Properties

Compound Name2-oxatricyclo[6.4.0.04,12]dodeca-1(8),3,6,9,11-pentaene
PubChem CID131851598
Molecular FormulaC11H8O
Molecular Weight156.18 g/mol
Exact Mass156.06
IUPAC Name2-oxatricyclo[6.4.0.04,12]dodeca-1(8),3,6,9,11-pentaene
SMILESC1=Cc2cccc3c(coc23)C1
InChIInChI=1S/C11H8O/c1-3-8-4-2-6-10-9(5-1)7-12-11(8)10/h1-4,6-7H,5H2
InChIKeyBZBCLCHLCRQHQZ-UHFFFAOYSA-N
XLogP3.00
TPSA13.14 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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-oxatricyclo[6.4.0.04,12]dodeca-1(8),3,6,9,11-pentaene?
The IUPAC name of 2-oxatricyclo[6.4.0.04,12]dodeca-1(8),3,6,9,11-pentaene (CID 131851598) is 2-oxatricyclo[6.4.0.04,12]dodeca-1(8),3,6,9,11-pentaene.
What is the SMILES notation for 2-oxatricyclo[6.4.0.04,12]dodeca-1(8),3,6,9,11-pentaene?
The canonical SMILES for 2-oxatricyclo[6.4.0.04,12]dodeca-1(8),3,6,9,11-pentaene is C1=Cc2cccc3c(coc23)C1.
What is the InChIKey of 2-oxatricyclo[6.4.0.04,12]dodeca-1(8),3,6,9,11-pentaene?
The InChIKey is BZBCLCHLCRQHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O/c1-3-8-4-2-6-10-9(5-1)7-12-11(8)10/h1-4,6-7H,5H2.
What are the key properties of 2-oxatricyclo[6.4.0.04,12]dodeca-1(8),3,6,9,11-pentaene?
2-oxatricyclo[6.4.0.04,12]dodeca-1(8),3,6,9,11-pentaene has a molecular weight of 156.18 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxatricyclo[6.4.0.04,12]dodeca-1(8),3,6,9,11-pentaene is sourced from PubChem (CID 131851598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).