bicyclo[5.2.2]undec-8-ene

C11H18 — CID 71397836

IUPACbicyclo[5.2.2]undec-8-ene
SMILESC1=CC2CCCCCC1CC2
InChIInChI=1S/C11H18/c1-2-4-10-6-8-11(5-3-1)9-7-10/h6,8,10-11H,1-5,7,9H2
InChIKeyLLAVPVJZDBOIGX-UHFFFAOYSA-N
MW150.27 g/mol
LogP3.53
Rot. Bonds

About bicyclo[5.2.2]undec-8-ene

bicyclo[5.2.2]undec-8-ene (PubChem CID 71397836) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is bicyclo[5.2.2]undec-8-ene.

Molecular Properties

Compound Namebicyclo[5.2.2]undec-8-ene
PubChem CID71397836
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Namebicyclo[5.2.2]undec-8-ene
SMILESC1=CC2CCCCCC1CC2
InChIInChI=1S/C11H18/c1-2-4-10-6-8-11(5-3-1)9-7-10/h6,8,10-11H,1-5,7,9H2
InChIKeyLLAVPVJZDBOIGX-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze bicyclo[5.2.2]undec-8-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
trans-Isolimonene
CID 22831540
Cyclohexene, 1-methyl-3-(1-methylethenyl)-
CID 10354
(3R-trans)-3-Methyl-6-(1-methylvinyl)cyclohexene
CID 78790
3-(1-Methylethyl)cyclohexene
CID 520966
3-(2-Methylpropyl)cyclohex-1-ene
CID 20057
Cyclohexene, 3-propyl-
CID 138092
2-Menthene
CID 517974
Isolimonene
CID 521268
(3S,6R)-3-Isopropyl-6-methylcyclohexene
CID 6431933
(3Z)-9-Methyl-3-undecene
CID 550666
1-Methyl-4-(6-methylhept-6-en-2-yl)cyclohexa-1,4-diene
CID 5316213

Frequently Asked Questions

What is the IUPAC name of bicyclo[5.2.2]undec-8-ene?
The IUPAC name of bicyclo[5.2.2]undec-8-ene (CID 71397836) is bicyclo[5.2.2]undec-8-ene.
What is the SMILES notation for bicyclo[5.2.2]undec-8-ene?
The canonical SMILES for bicyclo[5.2.2]undec-8-ene is C1=CC2CCCCCC1CC2.
What is the InChIKey of bicyclo[5.2.2]undec-8-ene?
The InChIKey is LLAVPVJZDBOIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-2-4-10-6-8-11(5-3-1)9-7-10/h6,8,10-11H,1-5,7,9H2.
What are the key properties of bicyclo[5.2.2]undec-8-ene?
bicyclo[5.2.2]undec-8-ene has a molecular weight of 150.27 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[5.2.2]undec-8-ene is sourced from PubChem (CID 71397836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).