2-butan-2-ylbicyclo[1.1.0]but-1-ene

C8H12 — CID 123514348

IUPAC2-butan-2-ylbicyclo[1.1.0]but-1-ene
SMILESCCC(C)C1=C2CC21
InChIInChI=1S/C8H12/c1-3-5(2)8-6-4-7(6)8/h5-6H,3-4H2,1-2H3
InChIKeyQDPOIBDPNIEOGD-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.36
Rot. Bonds2

About 2-butan-2-ylbicyclo[1.1.0]but-1-ene

2-butan-2-ylbicyclo[1.1.0]but-1-ene (PubChem CID 123514348) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 2-butan-2-ylbicyclo[1.1.0]but-1-ene.

Molecular Properties

Compound Name2-butan-2-ylbicyclo[1.1.0]but-1-ene
PubChem CID123514348
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name2-butan-2-ylbicyclo[1.1.0]but-1-ene
SMILESCCC(C)C1=C2CC21
InChIInChI=1S/C8H12/c1-3-5(2)8-6-4-7(6)8/h5-6H,3-4H2,1-2H3
InChIKeyQDPOIBDPNIEOGD-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.36
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-butan-2-ylbicyclo[1.1.0]but-1-ene?
The IUPAC name of 2-butan-2-ylbicyclo[1.1.0]but-1-ene (CID 123514348) is 2-butan-2-ylbicyclo[1.1.0]but-1-ene.
What is the SMILES notation for 2-butan-2-ylbicyclo[1.1.0]but-1-ene?
The canonical SMILES for 2-butan-2-ylbicyclo[1.1.0]but-1-ene is CCC(C)C1=C2CC21.
What is the InChIKey of 2-butan-2-ylbicyclo[1.1.0]but-1-ene?
The InChIKey is QDPOIBDPNIEOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-3-5(2)8-6-4-7(6)8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-butan-2-ylbicyclo[1.1.0]but-1-ene?
2-butan-2-ylbicyclo[1.1.0]but-1-ene has a molecular weight of 108.18 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylbicyclo[1.1.0]but-1-ene is sourced from PubChem (CID 123514348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).