2-but-1-enyl-4-ethyl-2,4-dimethylbicyclo[1.1.0]butane

C12H20 — CID 123224638

IUPAC2-but-1-enyl-4-ethyl-2,4-dimethylbicyclo[1.1.0]butane
SMILESCCC=CC1(C)C2C1C2(C)CC
InChIInChI=1S/C12H20/c1-5-7-8-12(4)9-10(12)11(9,3)6-2/h7-10H,5-6H2,1-4H3
InChIKeyKODGKGKLYUXTMX-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.63
Rot. Bonds3

About 2-but-1-enyl-4-ethyl-2,4-dimethylbicyclo[1.1.0]butane

2-but-1-enyl-4-ethyl-2,4-dimethylbicyclo[1.1.0]butane (PubChem CID 123224638) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2-but-1-enyl-4-ethyl-2,4-dimethylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-but-1-enyl-4-ethyl-2,4-dimethylbicyclo[1.1.0]butane
PubChem CID123224638
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2-but-1-enyl-4-ethyl-2,4-dimethylbicyclo[1.1.0]butane
SMILESCCC=CC1(C)C2C1C2(C)CC
InChIInChI=1S/C12H20/c1-5-7-8-12(4)9-10(12)11(9,3)6-2/h7-10H,5-6H2,1-4H3
InChIKeyKODGKGKLYUXTMX-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.63
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-but-1-enyl-4-ethyl-2,4-dimethylbicyclo[1.1.0]butane?
The IUPAC name of 2-but-1-enyl-4-ethyl-2,4-dimethylbicyclo[1.1.0]butane (CID 123224638) is 2-but-1-enyl-4-ethyl-2,4-dimethylbicyclo[1.1.0]butane.
What is the SMILES notation for 2-but-1-enyl-4-ethyl-2,4-dimethylbicyclo[1.1.0]butane?
The canonical SMILES for 2-but-1-enyl-4-ethyl-2,4-dimethylbicyclo[1.1.0]butane is CCC=CC1(C)C2C1C2(C)CC.
What is the InChIKey of 2-but-1-enyl-4-ethyl-2,4-dimethylbicyclo[1.1.0]butane?
The InChIKey is KODGKGKLYUXTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-7-8-12(4)9-10(12)11(9,3)6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-but-1-enyl-4-ethyl-2,4-dimethylbicyclo[1.1.0]butane?
2-but-1-enyl-4-ethyl-2,4-dimethylbicyclo[1.1.0]butane has a molecular weight of 164.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enyl-4-ethyl-2,4-dimethylbicyclo[1.1.0]butane is sourced from PubChem (CID 123224638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).