5-butylbicyclo[3.2.0]hept-1-ene

C11H18 — CID 163774181

IUPAC5-butylbicyclo[3.2.0]hept-1-ene
SMILESCCCCC12CCC=C1CC2
InChIInChI=1S/C11H18/c1-2-3-7-11-8-4-5-10(11)6-9-11/h5H,2-4,6-9H2,1H3
InChIKeyMIZGODJMNHJWNF-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.68
Rot. Bonds3

About 5-butylbicyclo[3.2.0]hept-1-ene

5-butylbicyclo[3.2.0]hept-1-ene (PubChem CID 163774181) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 5-butylbicyclo[3.2.0]hept-1-ene.

Molecular Properties

Compound Name5-butylbicyclo[3.2.0]hept-1-ene
PubChem CID163774181
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name5-butylbicyclo[3.2.0]hept-1-ene
SMILESCCCCC12CCC=C1CC2
InChIInChI=1S/C11H18/c1-2-3-7-11-8-4-5-10(11)6-9-11/h5H,2-4,6-9H2,1H3
InChIKeyMIZGODJMNHJWNF-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.68
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 5-butylbicyclo[3.2.0]hept-1-ene?
The IUPAC name of 5-butylbicyclo[3.2.0]hept-1-ene (CID 163774181) is 5-butylbicyclo[3.2.0]hept-1-ene.
What is the SMILES notation for 5-butylbicyclo[3.2.0]hept-1-ene?
The canonical SMILES for 5-butylbicyclo[3.2.0]hept-1-ene is CCCCC12CCC=C1CC2.
What is the InChIKey of 5-butylbicyclo[3.2.0]hept-1-ene?
The InChIKey is MIZGODJMNHJWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-2-3-7-11-8-4-5-10(11)6-9-11/h5H,2-4,6-9H2,1H3.
What are the key properties of 5-butylbicyclo[3.2.0]hept-1-ene?
5-butylbicyclo[3.2.0]hept-1-ene has a molecular weight of 150.26 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylbicyclo[3.2.0]hept-1-ene is sourced from PubChem (CID 163774181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).