tricyclo[4.2.0.02,4]oct-1(6)-ene

C8H10 — CID 123371540

IUPACtricyclo[4.2.0.02,4]oct-1(6)-ene
SMILESC1CC2=C1CC1CC21
InChIInChI=1S/C8H10/c1-2-7-5(1)3-6-4-8(6)7/h6,8H,1-4H2
InChIKeyNGCNLEBHTZRQFB-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.12
Rot. Bonds

About tricyclo[4.2.0.02,4]oct-1(6)-ene

tricyclo[4.2.0.02,4]oct-1(6)-ene (PubChem CID 123371540) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is tricyclo[4.2.0.02,4]oct-1(6)-ene.

Molecular Properties

Compound Nametricyclo[4.2.0.02,4]oct-1(6)-ene
PubChem CID123371540
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Nametricyclo[4.2.0.02,4]oct-1(6)-ene
SMILESC1CC2=C1CC1CC21
InChIInChI=1S/C8H10/c1-2-7-5(1)3-6-4-8(6)7/h6,8H,1-4H2
InChIKeyNGCNLEBHTZRQFB-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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Related Compounds

Tricyclo[4.2.1.02,5]non-2(5)-ene
CID 21122398
Tricyclo[4.2.0.02,4]oct-5-ene
CID 122372098
2-(1-Fluoro-3,6-dimethylcycloheptyl)bicyclo[3.1.0]hex-1-ene
CID 141768695
3,4-Dimethylbicyclo[4.1.0]hept-3-ene
CID 12651895
(1S,6R)-tricyclo[4.2.1.02,5]non-2(5)-ene
CID 134900896
(6S,7S)-6,7-Dimethylbicyclo[3.2.0]hept-1(5)-ene
CID 71413448
6,7-Dimethylbicyclo[3.2.0]hept-1(5)-ene
CID 13182432
Tricyclo[4.3.0.02,5]non-1(6)-ene
CID 20038575
3-Methyl-2-propan-2-ylbicyclo[3.1.0]hex-2-ene
CID 20259158
6-Methylbicyclo[3.2.0]hept-1(5)-ene
CID 20379043
3-Methyl-2-propan-2-ylbicyclo[3.1.0]hex-1-ene
CID 57043752
5-Methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene
CID 91326642

Frequently Asked Questions

What is the IUPAC name of tricyclo[4.2.0.02,4]oct-1(6)-ene?
The IUPAC name of tricyclo[4.2.0.02,4]oct-1(6)-ene (CID 123371540) is tricyclo[4.2.0.02,4]oct-1(6)-ene.
What is the SMILES notation for tricyclo[4.2.0.02,4]oct-1(6)-ene?
The canonical SMILES for tricyclo[4.2.0.02,4]oct-1(6)-ene is C1CC2=C1CC1CC21.
What is the InChIKey of tricyclo[4.2.0.02,4]oct-1(6)-ene?
The InChIKey is NGCNLEBHTZRQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-2-7-5(1)3-6-4-8(6)7/h6,8H,1-4H2.
What are the key properties of tricyclo[4.2.0.02,4]oct-1(6)-ene?
tricyclo[4.2.0.02,4]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[4.2.0.02,4]oct-1(6)-ene is sourced from PubChem (CID 123371540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).