Bicyclo[2.2.0]hexa-1,3,5-triene;buta-1,3-diyne

C10H6 — CID 175027183

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;buta-1,3-diyne
SMILESC#CC#C.C1=CC2=CC=C21
InChIInChI=1S/C6H4.C4H2/c1-2-6-4-3-5(1)6;1-3-4-2/h1-4H;1-2H
InChIKeySPXLVLYUCHYRKT-UHFFFAOYSA-N
MW126.15 g/mol
LogP—
Rot. Bonds1

About Bicyclo[2.2.0]hexa-1,3,5-triene;buta-1,3-diyne

Bicyclo[2.2.0]hexa-1,3,5-triene;buta-1,3-diyne (PubChem CID 175027183) has the molecular formula C10H6 and a molecular weight of 126.15 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;buta-1,3-diyne.

Molecular Properties

Compound NameBicyclo[2.2.0]hexa-1,3,5-triene;buta-1,3-diyne
PubChem CID175027183
Molecular FormulaC10H6
Molecular Weight126.15 g/mol
Exact Mass126.05
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;buta-1,3-diyne
SMILESC#CC#C.C1=CC2=CC=C21
InChIInChI=1S/C6H4.C4H2/c1-2-6-4-3-5(1)6;1-3-4-2/h1-4H;1-2H
InChIKeySPXLVLYUCHYRKT-UHFFFAOYSA-N
XLogP—
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity116

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', '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;buta-1,3-diyne?
The IUPAC name of Bicyclo[2.2.0]hexa-1,3,5-triene;buta-1,3-diyne (CID 175027183) is bicyclo[2.2.0]hexa-1,3,5-triene;buta-1,3-diyne.
What is the SMILES notation for Bicyclo[2.2.0]hexa-1,3,5-triene;buta-1,3-diyne?
The canonical SMILES for Bicyclo[2.2.0]hexa-1,3,5-triene;buta-1,3-diyne is C#CC#C.C1=CC2=CC=C21.
What is the InChIKey of Bicyclo[2.2.0]hexa-1,3,5-triene;buta-1,3-diyne?
The InChIKey is SPXLVLYUCHYRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C4H2/c1-2-6-4-3-5(1)6;1-3-4-2/h1-4H;1-2H.
What are the key properties of Bicyclo[2.2.0]hexa-1,3,5-triene;buta-1,3-diyne?
Bicyclo[2.2.0]hexa-1,3,5-triene;buta-1,3-diyne has a molecular weight of 126.15 g/mol, XLogP of not available, 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;buta-1,3-diyne is sourced from PubChem (CID 175027183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).