1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene

C12H20 — CID 86052906

IUPAC1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene
SMILESCC1=C(C)C2(C)CCC1(C)CC2
InChIInChI=1S/C12H20/c1-9-10(2)12(4)7-5-11(9,3)6-8-12/h5-8H2,1-4H3
InChIKeyYCIKRPISVBFSOM-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.92
Rot. Bonds

About 1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene

1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene (PubChem CID 86052906) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene
PubChem CID86052906
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene
SMILESCC1=C(C)C2(C)CCC1(C)CC2
InChIInChI=1S/C12H20/c1-9-10(2)12(4)7-5-11(9,3)6-8-12/h5-8H2,1-4H3
InChIKeyYCIKRPISVBFSOM-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.92
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 1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene?
The IUPAC name of 1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene (CID 86052906) is 1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene is CC1=C(C)C2(C)CCC1(C)CC2.
What is the InChIKey of 1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene?
The InChIKey is YCIKRPISVBFSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-9-10(2)12(4)7-5-11(9,3)6-8-12/h5-8H2,1-4H3.
What are the key properties of 1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene?
1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene has a molecular weight of 164.29 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 86052906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).