16,17-diethylbicyclo[12.4.0]octadec-1(14)-ene

C22H40 — CID 623851

IUPAC16,17-diethylbicyclo[12.4.0]octadec-1(14)-ene
SMILESCCC1CC2=C(CCCCCCCCCCCC2)CC1CC
InChIInChI=1S/C22H40/c1-3-19-17-21-15-13-11-9-7-5-6-8-10-12-14-16-22(21)18-20(19)4-2/h19-20H,3-18H2,1-2H3
InChIKeyWUYHYLVIZYOGLB-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.82
Rot. Bonds2

About 16,17-diethylbicyclo[12.4.0]octadec-1(14)-ene

16,17-diethylbicyclo[12.4.0]octadec-1(14)-ene (PubChem CID 623851) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 16,17-diethylbicyclo[12.4.0]octadec-1(14)-ene.

Molecular Properties

Compound Name16,17-diethylbicyclo[12.4.0]octadec-1(14)-ene
PubChem CID623851
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name16,17-diethylbicyclo[12.4.0]octadec-1(14)-ene
SMILESCCC1CC2=C(CCCCCCCCCCCC2)CC1CC
InChIInChI=1S/C22H40/c1-3-19-17-21-15-13-11-9-7-5-6-8-10-12-14-16-22(21)18-20(19)4-2/h19-20H,3-18H2,1-2H3
InChIKeyWUYHYLVIZYOGLB-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.82
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 16,17-diethylbicyclo[12.4.0]octadec-1(14)-ene?
The IUPAC name of 16,17-diethylbicyclo[12.4.0]octadec-1(14)-ene (CID 623851) is 16,17-diethylbicyclo[12.4.0]octadec-1(14)-ene.
What is the SMILES notation for 16,17-diethylbicyclo[12.4.0]octadec-1(14)-ene?
The canonical SMILES for 16,17-diethylbicyclo[12.4.0]octadec-1(14)-ene is CCC1CC2=C(CCCCCCCCCCCC2)CC1CC.
What is the InChIKey of 16,17-diethylbicyclo[12.4.0]octadec-1(14)-ene?
The InChIKey is WUYHYLVIZYOGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-3-19-17-21-15-13-11-9-7-5-6-8-10-12-14-16-22(21)18-20(19)4-2/h19-20H,3-18H2,1-2H3.
What are the key properties of 16,17-diethylbicyclo[12.4.0]octadec-1(14)-ene?
16,17-diethylbicyclo[12.4.0]octadec-1(14)-ene has a molecular weight of 304.56 g/mol, XLogP of 7.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16,17-diethylbicyclo[12.4.0]octadec-1(14)-ene is sourced from PubChem (CID 623851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).