5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene

C20H32 — CID 160577628

IUPAC5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene
SMILESCCC1CC2C=CC1C2.CCCCC1CC2C=CC1C2
InChIInChI=1S/C11H18.C9H14/c1-2-3-4-10-7-9-5-6-11(10)8-9;1-2-8-5-7-3-4-9(8)6-7/h5-6,9-11H,2-4,7-8H2,1H3;3-4,7-9H,2,5-6H2,1H3
InChIKeyRBJAILXOOZBSFF-UHFFFAOYSA-N
MW272.48 g/mol
LogP6.00
Rot. Bonds4

About 5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene

5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene (PubChem CID 160577628) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene
PubChem CID160577628
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene
SMILESCCC1CC2C=CC1C2.CCCCC1CC2C=CC1C2
InChIInChI=1S/C11H18.C9H14/c1-2-3-4-10-7-9-5-6-11(10)8-9;1-2-8-5-7-3-4-9(8)6-7/h5-6,9-11H,2-4,7-8H2,1H3;3-4,7-9H,2,5-6H2,1H3
InChIKeyRBJAILXOOZBSFF-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.00
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

(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
5-butylbicyclo[2.2.1]hept-2-ene;5-pentylbicyclo[2.2.1]hept-2-ene
CID 159790983
5-octadecylbicyclo[2.2.1]hept-2-ene
CID 22169146
5-heptylbicyclo[2.2.1]hept-2-ene
CID 22253270
(1S,4S,5S)-5-hexylbicyclo[2.2.1]hept-2-ene
CID 97304116
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-heptylbicyclo[2.2.1]hept-2-ene;5-hexylbicyclo[2.2.1]hept-2-ene;methane;5-methylbicyclo[2.2.1]hept-2-ene;5-octylbicyclo[2.2.1]hept-2-ene;5-pentylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene
CID 161408547
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
5-butylbicyclo[2.2.1]hept-2-ene;furan-2,5-dione
CID 131731366
4-(2-bicyclo[2.2.1]hept-5-enyl)-N,N-dipropylbutan-1-amine
CID 21426217
5-(8-methoxyoctyl)bicyclo[2.2.1]hept-2-ene
CID 59748193
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butan-1-amine
CID 98118034

Frequently Asked Questions

What is the IUPAC name of 5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene (CID 160577628) is 5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene is CCC1CC2C=CC1C2.CCCCC1CC2C=CC1C2.
What is the InChIKey of 5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene?
The InChIKey is RBJAILXOOZBSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18.C9H14/c1-2-3-4-10-7-9-5-6-11(10)8-9;1-2-8-5-7-3-4-9(8)6-7/h5-6,9-11H,2-4,7-8H2,1H3;3-4,7-9H,2,5-6H2,1H3.
What are the key properties of 5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene?
5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene has a molecular weight of 272.48 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 160577628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).