bicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene

C15H18 — CID 167623145

IUPACbicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene
SMILESC1=CC2C=CC1C2.C1=CC2C=CC1CC2
InChIInChI=1S/C8H10.C7H8/c1-2-8-5-3-7(1)4-6-8;1-2-7-4-3-6(1)5-7/h1-3,5,7-8H,4,6H2;1-4,6-7H,5H2
InChIKeyMSJDMLWTUOHASD-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.89
Rot. Bonds

About bicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene

bicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene (PubChem CID 167623145) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene
PubChem CID167623145
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Namebicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene
SMILESC1=CC2C=CC1C2.C1=CC2C=CC1CC2
InChIInChI=1S/C8H10.C7H8/c1-2-8-5-3-7(1)4-6-8;1-2-7-4-3-6(1)5-7/h1-3,5,7-8H,4,6H2;1-4,6-7H,5H2
InChIKeyMSJDMLWTUOHASD-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.89
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[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene?
The IUPAC name of bicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene (CID 167623145) is bicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene.
What is the SMILES notation for bicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene?
The canonical SMILES for bicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene is C1=CC2C=CC1C2.C1=CC2C=CC1CC2.
What is the InChIKey of bicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene?
The InChIKey is MSJDMLWTUOHASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H8/c1-2-8-5-3-7(1)4-6-8;1-2-7-4-3-6(1)5-7/h1-3,5,7-8H,4,6H2;1-4,6-7H,5H2.
What are the key properties of bicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene?
bicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene has a molecular weight of 198.31 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene is sourced from PubChem (CID 167623145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).