5-oxatetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene

C11H12O — CID 12920503

IUPAC5-oxatetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
SMILESC1=CC2OC3C=CC4CC1C2C43
InChIInChI=1S/C11H12O/c1-3-8-10-6(1)5-7-2-4-9(12-8)11(7)10/h1-4,6-11H,5H2
InChIKeySQDSTNKGJKMICP-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.76
Rot. Bonds

About 5-oxatetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene

5-oxatetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene (PubChem CID 12920503) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-oxatetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene.

Molecular Properties

Compound Name5-oxatetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
PubChem CID12920503
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name5-oxatetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
SMILESC1=CC2OC3C=CC4CC1C2C43
InChIInChI=1S/C11H12O/c1-3-8-10-6(1)5-7-2-4-9(12-8)11(7)10/h1-4,6-11H,5H2
InChIKeySQDSTNKGJKMICP-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxatetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene?
The IUPAC name of 5-oxatetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene (CID 12920503) is 5-oxatetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene.
What is the SMILES notation for 5-oxatetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene?
The canonical SMILES for 5-oxatetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene is C1=CC2OC3C=CC4CC1C2C43.
What is the InChIKey of 5-oxatetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene?
The InChIKey is SQDSTNKGJKMICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-3-8-10-6(1)5-7-2-4-9(12-8)11(7)10/h1-4,6-11H,5H2.
What are the key properties of 5-oxatetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene?
5-oxatetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene has a molecular weight of 160.22 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxatetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene is sourced from PubChem (CID 12920503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).