tricyclo[4.3.1.01,6]deca-2,4,7-triene

C10H10 — CID 13328966

IUPACtricyclo[4.3.1.01,6]deca-2,4,7-triene
SMILESC1=CC23C=CCC2(C=C1)C3
InChIInChI=1S/C10H10/c1-2-5-10-7-3-6-9(10,4-1)8-10/h1-6H,7-8H2
InChIKeyHLZPNEAXFWPJJG-UHFFFAOYSA-N
MW130.19 g/mol
LogP2.45
Rot. Bonds

About tricyclo[4.3.1.01,6]deca-2,4,7-triene

tricyclo[4.3.1.01,6]deca-2,4,7-triene (PubChem CID 13328966) has the molecular formula C10H10 and a molecular weight of 130.19 g/mol. Its IUPAC name is tricyclo[4.3.1.01,6]deca-2,4,7-triene.

Molecular Properties

Compound Nametricyclo[4.3.1.01,6]deca-2,4,7-triene
PubChem CID13328966
Molecular FormulaC10H10
Molecular Weight130.19 g/mol
Exact Mass130.08
IUPAC Nametricyclo[4.3.1.01,6]deca-2,4,7-triene
SMILESC1=CC23C=CCC2(C=C1)C3
InChIInChI=1S/C10H10/c1-2-5-10-7-3-6-9(10,4-1)8-10/h1-6H,7-8H2
InChIKeyHLZPNEAXFWPJJG-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 52.45
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[4.3.1.01,6]deca-2,4,7-triene?
The IUPAC name of tricyclo[4.3.1.01,6]deca-2,4,7-triene (CID 13328966) is tricyclo[4.3.1.01,6]deca-2,4,7-triene.
What is the SMILES notation for tricyclo[4.3.1.01,6]deca-2,4,7-triene?
The canonical SMILES for tricyclo[4.3.1.01,6]deca-2,4,7-triene is C1=CC23C=CCC2(C=C1)C3.
What is the InChIKey of tricyclo[4.3.1.01,6]deca-2,4,7-triene?
The InChIKey is HLZPNEAXFWPJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10/c1-2-5-10-7-3-6-9(10,4-1)8-10/h1-6H,7-8H2.
What are the key properties of tricyclo[4.3.1.01,6]deca-2,4,7-triene?
tricyclo[4.3.1.01,6]deca-2,4,7-triene has a molecular weight of 130.19 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.3.1.01,6]deca-2,4,7-triene is sourced from PubChem (CID 13328966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).