bicyclo[2.2.0]hexa-1,4-diene

C6H6 — CID 86017277

IUPACbicyclo[2.2.0]hexa-1,4-diene
SMILESC1=C2CC=C2C1
InChIInChI=1S/C6H6/c1-2-6-4-3-5(1)6/h1,4H,2-3H2
InChIKeySKSKRZHVARBPHH-UHFFFAOYSA-N
MW78.11 g/mol
LogP1.65
Rot. Bonds

About bicyclo[2.2.0]hexa-1,4-diene

bicyclo[2.2.0]hexa-1,4-diene (PubChem CID 86017277) has the molecular formula C6H6 and a molecular weight of 78.11 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,4-diene.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,4-diene
PubChem CID86017277
Molecular FormulaC6H6
Molecular Weight78.11 g/mol
Exact Mass78.05
IUPAC Namebicyclo[2.2.0]hexa-1,4-diene
SMILESC1=C2CC=C2C1
InChIInChI=1S/C6H6/c1-2-6-4-3-5(1)6/h1,4H,2-3H2
InChIKeySKSKRZHVARBPHH-UHFFFAOYSA-N
XLogP1.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.11
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,4-diene?
The IUPAC name of bicyclo[2.2.0]hexa-1,4-diene (CID 86017277) is bicyclo[2.2.0]hexa-1,4-diene.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,4-diene?
The canonical SMILES for bicyclo[2.2.0]hexa-1,4-diene is C1=C2CC=C2C1.
What is the InChIKey of bicyclo[2.2.0]hexa-1,4-diene?
The InChIKey is SKSKRZHVARBPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6/c1-2-6-4-3-5(1)6/h1,4H,2-3H2.
What are the key properties of bicyclo[2.2.0]hexa-1,4-diene?
bicyclo[2.2.0]hexa-1,4-diene has a molecular weight of 78.11 g/mol, XLogP of 1.65, 0 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-1,4-diene is sourced from PubChem (CID 86017277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).