bicyclo[2.2.0]hexa-1,3,5-triene;but-1-ene

C10H12 — CID 23191091

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;but-1-ene
SMILESC=CCC.c1cc2ccc1-2
InChIInChI=1S/C6H4.C4H8/c1-2-6-4-3-5(1)6;1-3-4-2/h1-4H;3H,1,4H2,2H3
InChIKeyMBYWTRLFQFZWFM-UHFFFAOYSA-N
MW132.21 g/mol
LogP3.25
Rot. Bonds1

About bicyclo[2.2.0]hexa-1,3,5-triene;but-1-ene

bicyclo[2.2.0]hexa-1,3,5-triene;but-1-ene (PubChem CID 23191091) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;but-1-ene.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;but-1-ene
PubChem CID23191091
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;but-1-ene
SMILESC=CCC.c1cc2ccc1-2
InChIInChI=1S/C6H4.C4H8/c1-2-6-4-3-5(1)6;1-3-4-2/h1-4H;3H,1,4H2,2H3
InChIKeyMBYWTRLFQFZWFM-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 53.25
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 bicyclo[2.2.0]hexa-1,3,5-triene;but-1-ene?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;but-1-ene (CID 23191091) is bicyclo[2.2.0]hexa-1,3,5-triene;but-1-ene.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;but-1-ene?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;but-1-ene is C=CCC.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;but-1-ene?
The InChIKey is MBYWTRLFQFZWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C4H8/c1-2-6-4-3-5(1)6;1-3-4-2/h1-4H;3H,1,4H2,2H3.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;but-1-ene?
bicyclo[2.2.0]hexa-1,3,5-triene;but-1-ene has a molecular weight of 132.21 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;but-1-ene is sourced from PubChem (CID 23191091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).