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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Related Compounds

(2-butyl-2-bicyclo[2.2.1]hept-5-enyl)methanol
CID 139996139
2-butylbicyclo[2.2.1]hept-5-ene-2-carbonitrile
CID 12555033
[2-(heptanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl heptanoate
CID 102393981
5-chloro-5-propylbicyclo[2.2.1]hept-2-ene
CID 21396934
N-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine
CID 67593437
2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]
CID 91139857
1-butyl-2-methyl-1-propylcyclopropane
CID 123815284
(1R,4S)-7-butylbicyclo[2.2.1]hept-2-en-7-ol
CID 131877927
1-(2-ethylhexyl)spiro[azetidine-3,5'-bicyclo[2.2.1]hept-2-ene]-2,4-dione
CID 68820478
2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol
CID 164650747
2-pentan-3-ylbicyclo[2.2.1]hept-5-en-2-ol
CID 164650746
[(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine
CID 15193955

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).