tricyclo[4.3.2.01,6]undeca-2,4,7,10-tetraene

C11H10 — CID 14898021

IUPACtricyclo[4.3.2.01,6]undeca-2,4,7,10-tetraene
SMILESC1=CC23C=CCC2(C=C1)C=C3
InChIInChI=1S/C11H10/c1-2-5-11-7-3-6-10(11,4-1)8-9-11/h1-6,8-9H,7H2
InChIKeyHTUKKBQNHCUZLB-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.61
Rot. Bonds

About tricyclo[4.3.2.01,6]undeca-2,4,7,10-tetraene

tricyclo[4.3.2.01,6]undeca-2,4,7,10-tetraene (PubChem CID 14898021) has the molecular formula C11H10 and a molecular weight of 142.20 g/mol. Its IUPAC name is tricyclo[4.3.2.01,6]undeca-2,4,7,10-tetraene.

Molecular Properties

Compound Nametricyclo[4.3.2.01,6]undeca-2,4,7,10-tetraene
PubChem CID14898021
Molecular FormulaC11H10
Molecular Weight142.20 g/mol
Exact Mass142.08
IUPAC Nametricyclo[4.3.2.01,6]undeca-2,4,7,10-tetraene
SMILESC1=CC23C=CCC2(C=C1)C=C3
InChIInChI=1S/C11H10/c1-2-5-11-7-3-6-10(11,4-1)8-9-11/h1-6,8-9H,7H2
InChIKeyHTUKKBQNHCUZLB-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

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 tricyclo[4.3.2.01,6]undeca-2,4,7,10-tetraene?
The IUPAC name of tricyclo[4.3.2.01,6]undeca-2,4,7,10-tetraene (CID 14898021) is tricyclo[4.3.2.01,6]undeca-2,4,7,10-tetraene.
What is the SMILES notation for tricyclo[4.3.2.01,6]undeca-2,4,7,10-tetraene?
The canonical SMILES for tricyclo[4.3.2.01,6]undeca-2,4,7,10-tetraene is C1=CC23C=CCC2(C=C1)C=C3.
What is the InChIKey of tricyclo[4.3.2.01,6]undeca-2,4,7,10-tetraene?
The InChIKey is HTUKKBQNHCUZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10/c1-2-5-11-7-3-6-10(11,4-1)8-9-11/h1-6,8-9H,7H2.
What are the key properties of tricyclo[4.3.2.01,6]undeca-2,4,7,10-tetraene?
tricyclo[4.3.2.01,6]undeca-2,4,7,10-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[4.3.2.01,6]undeca-2,4,7,10-tetraene is sourced from PubChem (CID 14898021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).