tricyclo[6.2.2.02,7]dodeca-2,4,6-triene

C12H14 — CID 582301

IUPACtricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESc1ccc2c(c1)C1CCC2CC1
InChIInChI=1S/C12H14/c1-2-4-12-10-7-5-9(6-8-10)11(12)3-1/h1-4,9-10H,5-8H2
InChIKeyORCQJRXQASSNAQ-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.44
Rot. Bonds

About tricyclo[6.2.2.02,7]dodeca-2,4,6-triene

tricyclo[6.2.2.02,7]dodeca-2,4,6-triene (PubChem CID 582301) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is tricyclo[6.2.2.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Nametricyclo[6.2.2.02,7]dodeca-2,4,6-triene
PubChem CID582301
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Nametricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESc1ccc2c(c1)C1CCC2CC1
InChIInChI=1S/C12H14/c1-2-4-12-10-7-5-9(6-8-10)11(12)3-1/h1-4,9-10H,5-8H2
InChIKeyORCQJRXQASSNAQ-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The IUPAC name of tricyclo[6.2.2.02,7]dodeca-2,4,6-triene (CID 582301) is tricyclo[6.2.2.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for tricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The canonical SMILES for tricyclo[6.2.2.02,7]dodeca-2,4,6-triene is c1ccc2c(c1)C1CCC2CC1.
What is the InChIKey of tricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The InChIKey is ORCQJRXQASSNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-2-4-12-10-7-5-9(6-8-10)11(12)3-1/h1-4,9-10H,5-8H2.
What are the key properties of tricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene has a molecular weight of 158.24 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.2.2.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 582301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).