1-oct-1-en-4-ylbicyclo[2.2.2]octane

C16H28 — CID 57249843

IUPAC1-oct-1-en-4-ylbicyclo[2.2.2]octane
SMILESC=CCC(CCCC)C12CCC(CC1)CC2
InChIInChI=1S/C16H28/c1-3-5-7-15(6-4-2)16-11-8-14(9-12-16)10-13-16/h4,14-15H,2-3,5-13H2,1H3
InChIKeyZVEXFOLXYNIYPO-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.34
Rot. Bonds6

About 1-oct-1-en-4-ylbicyclo[2.2.2]octane

1-oct-1-en-4-ylbicyclo[2.2.2]octane (PubChem CID 57249843) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-oct-1-en-4-ylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-oct-1-en-4-ylbicyclo[2.2.2]octane
PubChem CID57249843
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-oct-1-en-4-ylbicyclo[2.2.2]octane
SMILESC=CCC(CCCC)C12CCC(CC1)CC2
InChIInChI=1S/C16H28/c1-3-5-7-15(6-4-2)16-11-8-14(9-12-16)10-13-16/h4,14-15H,2-3,5-13H2,1H3
InChIKeyZVEXFOLXYNIYPO-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.34
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

(4S)-4-ethyloct-1-ene
CID 129373406
methane;(4R)-4-propan-2-yloct-1-ene
CID 159803024
5-prop-2-enyl-4-propyldec-1-ene
CID 173236567
4-oct-1-en-4-ylperoxyoct-1-ene
CID 87401104
oct-1-en-4-yl-tris(prop-2-enyl)phosphanium
CID 87404524
[(E)-3-prop-2-enylhept-1-enyl]cyclohexane
CID 102059705
dicyclohexyl-methyl-oct-1-en-4-ylsilane
CID 101122160
5-ethyl-4-methylnon-1-ene
CID 22027489
oct-1-en-4-ylboronic acid
CID 87441158
4-prop-2-enylpentadec-1-ene
CID 54427529
17-prop-2-enyltetratriacontane
CID 173452630
1-pentylbicyclo[2.2.2]octane
CID 13184608

Frequently Asked Questions

What is the IUPAC name of 1-oct-1-en-4-ylbicyclo[2.2.2]octane?
The IUPAC name of 1-oct-1-en-4-ylbicyclo[2.2.2]octane (CID 57249843) is 1-oct-1-en-4-ylbicyclo[2.2.2]octane.
What is the SMILES notation for 1-oct-1-en-4-ylbicyclo[2.2.2]octane?
The canonical SMILES for 1-oct-1-en-4-ylbicyclo[2.2.2]octane is C=CCC(CCCC)C12CCC(CC1)CC2.
What is the InChIKey of 1-oct-1-en-4-ylbicyclo[2.2.2]octane?
The InChIKey is ZVEXFOLXYNIYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-3-5-7-15(6-4-2)16-11-8-14(9-12-16)10-13-16/h4,14-15H,2-3,5-13H2,1H3.
What are the key properties of 1-oct-1-en-4-ylbicyclo[2.2.2]octane?
1-oct-1-en-4-ylbicyclo[2.2.2]octane has a molecular weight of 220.40 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oct-1-en-4-ylbicyclo[2.2.2]octane is sourced from PubChem (CID 57249843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).