tricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene

C11H10 — CID 5260394

IUPACtricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene
SMILESC1=CC23C=CC=CC2(C=C1)C3
InChIInChI=1S/C11H10/c1-2-6-11-8-4-3-7-10(11,5-1)9-11/h1-8H,9H2
InChIKeyVWNQQBZPNVBKKT-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.61
Rot. Bonds

About tricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene

tricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene (PubChem CID 5260394) has the molecular formula C11H10 and a molecular weight of 142.20 g/mol. Its IUPAC name is tricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene.

Molecular Properties

Compound Nametricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene
PubChem CID5260394
Molecular FormulaC11H10
Molecular Weight142.20 g/mol
Exact Mass142.08
IUPAC Nametricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene
SMILESC1=CC23C=CC=CC2(C=C1)C3
InChIInChI=1S/C11H10/c1-2-6-11-8-4-3-7-10(11,5-1)9-11/h1-8H,9H2
InChIKeyVWNQQBZPNVBKKT-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene?
The IUPAC name of tricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene (CID 5260394) is tricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene.
What is the SMILES notation for tricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene?
The canonical SMILES for tricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene is C1=CC23C=CC=CC2(C=C1)C3.
What is the InChIKey of tricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene?
The InChIKey is VWNQQBZPNVBKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10/c1-2-6-11-8-4-3-7-10(11,5-1)9-11/h1-8H,9H2.
What are the key properties of tricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene?
tricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene has a molecular weight of 142.20 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene is sourced from PubChem (CID 5260394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).