11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene

C18H16O — CID 123317264

IUPAC11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene
SMILESC=Cc1oc2cccc3cccc(c(=CC)c1C)c32
InChIInChI=1S/C18H16O/c1-4-14-12(3)16(5-2)19-17-11-7-9-13-8-6-10-15(14)18(13)17/h4-11H,2H2,1,3H3
InChIKeySTWRYZAYIWKWFS-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.62
Rot. Bonds1

About 11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene

11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene (PubChem CID 123317264) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is 11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene.

Molecular Properties

Compound Name11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene
PubChem CID123317264
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene
SMILESC=Cc1oc2cccc3cccc(c(=CC)c1C)c32
InChIInChI=1S/C18H16O/c1-4-14-12(3)16(5-2)19-17-11-7-9-13-8-6-10-15(14)18(13)17/h4-11H,2H2,1,3H3
InChIKeySTWRYZAYIWKWFS-UHFFFAOYSA-N
XLogP4.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene?
The IUPAC name of 11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene (CID 123317264) is 11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene.
What is the SMILES notation for 11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene?
The canonical SMILES for 11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene is C=Cc1oc2cccc3cccc(c(=CC)c1C)c32.
What is the InChIKey of 11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene?
The InChIKey is STWRYZAYIWKWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-4-14-12(3)16(5-2)19-17-11-7-9-13-8-6-10-15(14)18(13)17/h4-11H,2H2,1,3H3.
What are the key properties of 11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene?
11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene has a molecular weight of 248.32 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene is sourced from PubChem (CID 123317264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).