5,5-dibutylbicyclo[2.2.1]hept-2-ene

C15H26 — CID 21426205

IUPAC5,5-dibutylbicyclo[2.2.1]hept-2-ene
SMILESCCCCC1(CCCC)CC2C=CC1C2
InChIInChI=1S/C15H26/c1-3-5-9-15(10-6-4-2)12-13-7-8-14(15)11-13/h7-8,13-14H,3-6,9-12H2,1-2H3
InChIKeyCIKUOZLGAXZYNP-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.95
Rot. Bonds6

About 5,5-dibutylbicyclo[2.2.1]hept-2-ene

5,5-dibutylbicyclo[2.2.1]hept-2-ene (PubChem CID 21426205) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 5,5-dibutylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,5-dibutylbicyclo[2.2.1]hept-2-ene
PubChem CID21426205
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name5,5-dibutylbicyclo[2.2.1]hept-2-ene
SMILESCCCCC1(CCCC)CC2C=CC1C2
InChIInChI=1S/C15H26/c1-3-5-9-15(10-6-4-2)12-13-7-8-14(15)11-13/h7-8,13-14H,3-6,9-12H2,1-2H3
InChIKeyCIKUOZLGAXZYNP-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.95
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 5,5-dibutylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,5-dibutylbicyclo[2.2.1]hept-2-ene (CID 21426205) is 5,5-dibutylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,5-dibutylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,5-dibutylbicyclo[2.2.1]hept-2-ene is CCCCC1(CCCC)CC2C=CC1C2.
What is the InChIKey of 5,5-dibutylbicyclo[2.2.1]hept-2-ene?
The InChIKey is CIKUOZLGAXZYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-3-5-9-15(10-6-4-2)12-13-7-8-14(15)11-13/h7-8,13-14H,3-6,9-12H2,1-2H3.
What are the key properties of 5,5-dibutylbicyclo[2.2.1]hept-2-ene?
5,5-dibutylbicyclo[2.2.1]hept-2-ene has a molecular weight of 206.37 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibutylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 21426205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).