bicyclo[2.2.2]oct-2-ene

C8H12 — CID 13608

IUPACbicyclo[2.2.2]oct-2-ene
SMILESC1=CC2CCC1CC2
InChIInChI=1S/C8H12/c1-2-8-5-3-7(1)4-6-8/h1-2,7-8H,3-6H2
InChIKeyVIQRCOQXIHFJND-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.36
Rot. Bonds

About bicyclo[2.2.2]oct-2-ene

bicyclo[2.2.2]oct-2-ene (PubChem CID 13608) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is bicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Namebicyclo[2.2.2]oct-2-ene
PubChem CID13608
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Namebicyclo[2.2.2]oct-2-ene
SMILESC1=CC2CCC1CC2
InChIInChI=1S/C8H12/c1-2-8-5-3-7(1)4-6-8/h1-2,7-8H,3-6H2
InChIKeyVIQRCOQXIHFJND-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.36
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

bicyclo[5.2.2]undec-8-ene
CID 71397836
(1R,4S)-bicyclo[2.2.1]hept-2-ene
CID 638051
(19Z)-bicyclo[9.7.2]icos-19-ene
CID 177397060
bicyclo[2.2.1]hept-2-ene;trichlororhodium
CID 175974959
bicyclo[2.2.1]hept-2-ene;fluoroform;sulfane
CID 174548915
(1R,5R)-bicyclo[3.2.2]non-6-en-2-one
CID 131021178
aminophosphonous acid;bicyclo[2.2.1]hept-2-ene
CID 67327267
bicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene)
CID 173404323
bicyclo[2.2.1]hept-2-ene;carbanide;2-methylpropane;tungsten(2+)
CID 158415038
bicyclo[2.2.1]hept-2-ene;naphthalene
CID 175477679
(1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol
CID 12622748
bicyclo[2.2.1]hept-2-ene;2-methylbutane
CID 167695695

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.2]oct-2-ene?
The IUPAC name of bicyclo[2.2.2]oct-2-ene (CID 13608) is bicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for bicyclo[2.2.2]oct-2-ene?
The canonical SMILES for bicyclo[2.2.2]oct-2-ene is C1=CC2CCC1CC2.
What is the InChIKey of bicyclo[2.2.2]oct-2-ene?
The InChIKey is VIQRCOQXIHFJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-2-8-5-3-7(1)4-6-8/h1-2,7-8H,3-6H2.
What are the key properties of bicyclo[2.2.2]oct-2-ene?
bicyclo[2.2.2]oct-2-ene has a molecular weight of 108.18 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 13608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).