1,2,4-trimethylbicyclo[2.2.2]oct-2-ene

C11H18 — CID 144883153

IUPAC1,2,4-trimethylbicyclo[2.2.2]oct-2-ene
SMILESCC1=CC2(C)CCC1(C)CC2
InChIInChI=1S/C11H18/c1-9-8-10(2)4-6-11(9,3)7-5-10/h8H,4-7H2,1-3H3
InChIKeySPMNBYJNNHONQA-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.53
Rot. Bonds

About 1,2,4-trimethylbicyclo[2.2.2]oct-2-ene

1,2,4-trimethylbicyclo[2.2.2]oct-2-ene (PubChem CID 144883153) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1,2,4-trimethylbicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name1,2,4-trimethylbicyclo[2.2.2]oct-2-ene
PubChem CID144883153
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1,2,4-trimethylbicyclo[2.2.2]oct-2-ene
SMILESCC1=CC2(C)CCC1(C)CC2
InChIInChI=1S/C11H18/c1-9-8-10(2)4-6-11(9,3)7-5-10/h8H,4-7H2,1-3H3
InChIKeySPMNBYJNNHONQA-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.53
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 1,2,4-trimethylbicyclo[2.2.2]oct-2-ene?
The IUPAC name of 1,2,4-trimethylbicyclo[2.2.2]oct-2-ene (CID 144883153) is 1,2,4-trimethylbicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 1,2,4-trimethylbicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 1,2,4-trimethylbicyclo[2.2.2]oct-2-ene is CC1=CC2(C)CCC1(C)CC2.
What is the InChIKey of 1,2,4-trimethylbicyclo[2.2.2]oct-2-ene?
The InChIKey is SPMNBYJNNHONQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-9-8-10(2)4-6-11(9,3)7-5-10/h8H,4-7H2,1-3H3.
What are the key properties of 1,2,4-trimethylbicyclo[2.2.2]oct-2-ene?
1,2,4-trimethylbicyclo[2.2.2]oct-2-ene has a molecular weight of 150.26 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethylbicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 144883153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).