4-methyltricyclo[2.1.0.02,5]pent-1-ene

C6H6 — CID 86017205

IUPAC4-methyltricyclo[2.1.0.02,5]pent-1-ene
SMILESCC12CC3=C1C32
InChIInChI=1S/C6H6/c1-6-2-3-4(6)5(3)6/h4H,2H2,1H3
InChIKeyQGZSXSVFDUTGTK-UHFFFAOYSA-N
MW78.11 g/mol
LogP1.34
Rot. Bonds

About 4-methyltricyclo[2.1.0.02,5]pent-1-ene

4-methyltricyclo[2.1.0.02,5]pent-1-ene (PubChem CID 86017205) has the molecular formula C6H6 and a molecular weight of 78.11 g/mol. Its IUPAC name is 4-methyltricyclo[2.1.0.02,5]pent-1-ene.

Molecular Properties

Compound Name4-methyltricyclo[2.1.0.02,5]pent-1-ene
PubChem CID86017205
Molecular FormulaC6H6
Molecular Weight78.11 g/mol
Exact Mass78.05
IUPAC Name4-methyltricyclo[2.1.0.02,5]pent-1-ene
SMILESCC12CC3=C1C32
InChIInChI=1S/C6H6/c1-6-2-3-4(6)5(3)6/h4H,2H2,1H3
InChIKeyQGZSXSVFDUTGTK-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
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 4-methyltricyclo[2.1.0.02,5]pent-1-ene?
The IUPAC name of 4-methyltricyclo[2.1.0.02,5]pent-1-ene (CID 86017205) is 4-methyltricyclo[2.1.0.02,5]pent-1-ene.
What is the SMILES notation for 4-methyltricyclo[2.1.0.02,5]pent-1-ene?
The canonical SMILES for 4-methyltricyclo[2.1.0.02,5]pent-1-ene is CC12CC3=C1C32.
What is the InChIKey of 4-methyltricyclo[2.1.0.02,5]pent-1-ene?
The InChIKey is QGZSXSVFDUTGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6/c1-6-2-3-4(6)5(3)6/h4H,2H2,1H3.
What are the key properties of 4-methyltricyclo[2.1.0.02,5]pent-1-ene?
4-methyltricyclo[2.1.0.02,5]pent-1-ene has a molecular weight of 78.11 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyltricyclo[2.1.0.02,5]pent-1-ene is sourced from PubChem (CID 86017205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).