tricyclo[4.2.0.02,8]oct-1(6)-ene

C8H10 — CID 152918695

IUPACtricyclo[4.2.0.02,8]oct-1(6)-ene
SMILESC1CC2=C3C(C1)C3C2
InChIInChI=1S/C8H10/c1-2-5-4-7-6(3-1)8(5)7/h6-7H,1-4H2
InChIKeyUIQAIFPWMXDTJQ-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.12
Rot. Bonds

About tricyclo[4.2.0.02,8]oct-1(6)-ene

tricyclo[4.2.0.02,8]oct-1(6)-ene (PubChem CID 152918695) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is tricyclo[4.2.0.02,8]oct-1(6)-ene.

Molecular Properties

Compound Nametricyclo[4.2.0.02,8]oct-1(6)-ene
PubChem CID152918695
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Nametricyclo[4.2.0.02,8]oct-1(6)-ene
SMILESC1CC2=C3C(C1)C3C2
InChIInChI=1S/C8H10/c1-2-5-4-7-6(3-1)8(5)7/h6-7H,1-4H2
InChIKeyUIQAIFPWMXDTJQ-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.12
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 tricyclo[4.2.0.02,8]oct-1(6)-ene?
The IUPAC name of tricyclo[4.2.0.02,8]oct-1(6)-ene (CID 152918695) is tricyclo[4.2.0.02,8]oct-1(6)-ene.
What is the SMILES notation for tricyclo[4.2.0.02,8]oct-1(6)-ene?
The canonical SMILES for tricyclo[4.2.0.02,8]oct-1(6)-ene is C1CC2=C3C(C1)C3C2.
What is the InChIKey of tricyclo[4.2.0.02,8]oct-1(6)-ene?
The InChIKey is UIQAIFPWMXDTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-2-5-4-7-6(3-1)8(5)7/h6-7H,1-4H2.
What are the key properties of tricyclo[4.2.0.02,8]oct-1(6)-ene?
tricyclo[4.2.0.02,8]oct-1(6)-ene has a molecular weight of 106.17 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.2.0.02,8]oct-1(6)-ene is sourced from PubChem (CID 152918695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).