2,6-diethylbicyclo[3.2.0]hept-1(5)-ene

C11H18 — CID 159302327

IUPAC2,6-diethylbicyclo[3.2.0]hept-1(5)-ene
SMILESCCC1CCC2=C1CC2CC
InChIInChI=1S/C11H18/c1-3-8-5-6-10-9(4-2)7-11(8)10/h8-9H,3-7H2,1-2H3
InChIKeyLBMKBMBGMGPNIM-UHFFFAOYSA-N
MW150.27 g/mol
LogP3.53
Rot. Bonds2

About 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene

2,6-diethylbicyclo[3.2.0]hept-1(5)-ene (PubChem CID 159302327) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene.

Molecular Properties

Compound Name2,6-diethylbicyclo[3.2.0]hept-1(5)-ene
PubChem CID159302327
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Name2,6-diethylbicyclo[3.2.0]hept-1(5)-ene
SMILESCCC1CCC2=C1CC2CC
InChIInChI=1S/C11H18/c1-3-8-5-6-10-9(4-2)7-11(8)10/h8-9H,3-7H2,1-2H3
InChIKeyLBMKBMBGMGPNIM-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
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 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene?
The IUPAC name of 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene (CID 159302327) is 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene.
What is the SMILES notation for 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene?
The canonical SMILES for 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene is CCC1CCC2=C1CC2CC.
What is the InChIKey of 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene?
The InChIKey is LBMKBMBGMGPNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-8-5-6-10-9(4-2)7-11(8)10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene?
2,6-diethylbicyclo[3.2.0]hept-1(5)-ene has a molecular weight of 150.27 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene is sourced from PubChem (CID 159302327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).