8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene

C10H12 — CID 90487416

IUPAC8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene
SMILES[2H]C1([2H])CC2C=CC3C=CC1C32
InChIInChI=1S/C10H12/c1-2-8-5-6-9-4-3-7(1)10(8)9/h1-4,7-10H,5-6H2/i5D2
InChIKeyWFYJSBGFDIPAEJ-BFWBPSQCSA-N
MW134.22 g/mol
LogP2.38
Rot. Bonds

About 8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene

8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene (PubChem CID 90487416) has the molecular formula C10H12 and a molecular weight of 134.22 g/mol. Its IUPAC name is 8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene.

Molecular Properties

Compound Name8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene
PubChem CID90487416
Molecular FormulaC10H12
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene
SMILES[2H]C1([2H])CC2C=CC3C=CC1C32
InChIInChI=1S/C10H12/c1-2-8-5-6-9-4-3-7(1)10(8)9/h1-4,7-10H,5-6H2/i5D2
InChIKeyWFYJSBGFDIPAEJ-BFWBPSQCSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.38
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 8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene?
The IUPAC name of 8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene (CID 90487416) is 8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene.
What is the SMILES notation for 8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene?
The canonical SMILES for 8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene is [2H]C1([2H])CC2C=CC3C=CC1C32.
What is the InChIKey of 8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene?
The InChIKey is WFYJSBGFDIPAEJ-BFWBPSQCSA-N. The full InChI is InChI=1S/C10H12/c1-2-8-5-6-9-4-3-7(1)10(8)9/h1-4,7-10H,5-6H2/i5D2.
What are the key properties of 8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene?
8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene has a molecular weight of 134.22 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene is sourced from PubChem (CID 90487416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).