2-butylbicyclo[2.2.1]hept-1-ene

C11H18 — CID 18318751

IUPAC2-butylbicyclo[2.2.1]hept-1-ene
SMILESCCCCC1=C2CCC(C1)C2
InChIInChI=1S/C11H18/c1-2-3-4-10-7-9-5-6-11(10)8-9/h9H,2-8H2,1H3
InChIKeyPLBGXHGUKNIBMN-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.68
Rot. Bonds3

About 2-butylbicyclo[2.2.1]hept-1-ene

2-butylbicyclo[2.2.1]hept-1-ene (PubChem CID 18318751) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2-butylbicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name2-butylbicyclo[2.2.1]hept-1-ene
PubChem CID18318751
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2-butylbicyclo[2.2.1]hept-1-ene
SMILESCCCCC1=C2CCC(C1)C2
InChIInChI=1S/C11H18/c1-2-3-4-10-7-9-5-6-11(10)8-9/h9H,2-8H2,1H3
InChIKeyPLBGXHGUKNIBMN-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 2-butylbicyclo[2.2.1]hept-1-ene?
The IUPAC name of 2-butylbicyclo[2.2.1]hept-1-ene (CID 18318751) is 2-butylbicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 2-butylbicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 2-butylbicyclo[2.2.1]hept-1-ene is CCCCC1=C2CCC(C1)C2.
What is the InChIKey of 2-butylbicyclo[2.2.1]hept-1-ene?
The InChIKey is PLBGXHGUKNIBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-2-3-4-10-7-9-5-6-11(10)8-9/h9H,2-8H2,1H3.
What are the key properties of 2-butylbicyclo[2.2.1]hept-1-ene?
2-butylbicyclo[2.2.1]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 2-butylbicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 18318751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).