tricyclo[3.2.1.02,4]oct-1-ene

C8H10 — CID 123773076

IUPACtricyclo[3.2.1.02,4]oct-1-ene
SMILESC1CC2CC1=C1CC12
InChIInChI=1S/C8H10/c1-2-6-3-5(1)7-4-8(6)7/h5,7H,1-4H2
InChIKeyJSVHLKBRZILEDI-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.12
Rot. Bonds

About tricyclo[3.2.1.02,4]oct-1-ene

tricyclo[3.2.1.02,4]oct-1-ene (PubChem CID 123773076) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is tricyclo[3.2.1.02,4]oct-1-ene.

Molecular Properties

Compound Nametricyclo[3.2.1.02,4]oct-1-ene
PubChem CID123773076
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Nametricyclo[3.2.1.02,4]oct-1-ene
SMILESC1CC2CC1=C1CC12
InChIInChI=1S/C8H10/c1-2-6-3-5(1)7-4-8(6)7/h5,7H,1-4H2
InChIKeyJSVHLKBRZILEDI-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[3.2.1.02,4]oct-1-ene?
The IUPAC name of tricyclo[3.2.1.02,4]oct-1-ene (CID 123773076) is tricyclo[3.2.1.02,4]oct-1-ene.
What is the SMILES notation for tricyclo[3.2.1.02,4]oct-1-ene?
The canonical SMILES for tricyclo[3.2.1.02,4]oct-1-ene is C1CC2CC1=C1CC12.
What is the InChIKey of tricyclo[3.2.1.02,4]oct-1-ene?
The InChIKey is JSVHLKBRZILEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-2-6-3-5(1)7-4-8(6)7/h5,7H,1-4H2.
What are the key properties of tricyclo[3.2.1.02,4]oct-1-ene?
tricyclo[3.2.1.02,4]oct-1-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[3.2.1.02,4]oct-1-ene is sourced from PubChem (CID 123773076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).