2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane

C18H28 — CID 54344742

IUPAC2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane
SMILESC1CC2CCC(=C3CCC4CCCC3C4)C(C1)C2
InChIInChI=1S/C18H28/c1-3-13-7-9-17(15(5-1)11-13)18-10-8-14-4-2-6-16(18)12-14/h13-16H,1-12H2
InChIKeyUBMOBLOYAWFKNL-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.48
Rot. Bonds

About 2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane

2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane (PubChem CID 54344742) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane
PubChem CID54344742
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane
SMILESC1CC2CCC(=C3CCC4CCCC3C4)C(C1)C2
InChIInChI=1S/C18H28/c1-3-13-7-9-17(15(5-1)11-13)18-10-8-14-4-2-6-16(18)12-14/h13-16H,1-12H2
InChIKeyUBMOBLOYAWFKNL-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.48
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 2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane?
The IUPAC name of 2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane (CID 54344742) is 2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane.
What is the SMILES notation for 2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane?
The canonical SMILES for 2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane is C1CC2CCC(=C3CCC4CCCC3C4)C(C1)C2.
What is the InChIKey of 2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane?
The InChIKey is UBMOBLOYAWFKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-3-13-7-9-17(15(5-1)11-13)18-10-8-14-4-2-6-16(18)12-14/h13-16H,1-12H2.
What are the key properties of 2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane?
2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane has a molecular weight of 244.42 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane is sourced from PubChem (CID 54344742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).