2,6-dimethylbicyclo[2.2.1]hept-1-ene

C9H14 — CID 56987193

IUPAC2,6-dimethylbicyclo[2.2.1]hept-1-ene
SMILESCC1=C2CC(C1)CC2C
InChIInChI=1S/C9H14/c1-6-3-8-4-7(2)9(6)5-8/h6,8H,3-5H2,1-2H3
InChIKeyWAXXQTTVULQXER-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About 2,6-dimethylbicyclo[2.2.1]hept-1-ene

2,6-dimethylbicyclo[2.2.1]hept-1-ene (PubChem CID 56987193) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2,6-dimethylbicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name2,6-dimethylbicyclo[2.2.1]hept-1-ene
PubChem CID56987193
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2,6-dimethylbicyclo[2.2.1]hept-1-ene
SMILESCC1=C2CC(C1)CC2C
InChIInChI=1S/C9H14/c1-6-3-8-4-7(2)9(6)5-8/h6,8H,3-5H2,1-2H3
InChIKeyWAXXQTTVULQXER-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.75
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 2,6-dimethylbicyclo[2.2.1]hept-1-ene?
The IUPAC name of 2,6-dimethylbicyclo[2.2.1]hept-1-ene (CID 56987193) is 2,6-dimethylbicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 2,6-dimethylbicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 2,6-dimethylbicyclo[2.2.1]hept-1-ene is CC1=C2CC(C1)CC2C.
What is the InChIKey of 2,6-dimethylbicyclo[2.2.1]hept-1-ene?
The InChIKey is WAXXQTTVULQXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-6-3-8-4-7(2)9(6)5-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 2,6-dimethylbicyclo[2.2.1]hept-1-ene?
2,6-dimethylbicyclo[2.2.1]hept-1-ene has a molecular weight of 122.21 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylbicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 56987193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).