11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene

C15H16 — CID 91364988

IUPAC11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene
SMILESCCC1C=CC2=C(C=CC=CC=C2)C=C1
InChIInChI=1S/C15H16/c1-2-13-9-11-14-7-5-3-4-6-8-15(14)12-10-13/h3-13H,2H2,1H3
InChIKeyDEIARWLRQBBWAU-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.12
Rot. Bonds1

About 11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene

11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene (PubChem CID 91364988) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene.

Molecular Properties

Compound Name11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene
PubChem CID91364988
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene
SMILESCCC1C=CC2=C(C=CC=CC=C2)C=C1
InChIInChI=1S/C15H16/c1-2-13-9-11-14-7-5-3-4-6-8-15(14)12-10-13/h3-13H,2H2,1H3
InChIKeyDEIARWLRQBBWAU-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene?
The IUPAC name of 11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene (CID 91364988) is 11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene.
What is the SMILES notation for 11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene?
The canonical SMILES for 11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene is CCC1C=CC2=C(C=CC=CC=C2)C=C1.
What is the InChIKey of 11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene?
The InChIKey is DEIARWLRQBBWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-2-13-9-11-14-7-5-3-4-6-8-15(14)12-10-13/h3-13H,2H2,1H3.
What are the key properties of 11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene?
11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene has a molecular weight of 196.29 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene is sourced from PubChem (CID 91364988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).