5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

C18H20OS — CID 24828782

IUPAC5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILESCCS(=O)c1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C18H20OS/c1-2-20(19)18-13-16-8-7-14-3-5-15(6-4-14)9-11-17(18)12-10-16/h3-6,10,12-13H,2,7-9,11H2,1H3
InChIKeyXALLWHKKTUPOMU-UHFFFAOYSA-N
MW284.42 g/mol
LogP3.70
Rot. Bonds2

About 5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (PubChem CID 24828782) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is 5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.

Molecular Properties

Compound Name5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
PubChem CID24828782
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILESCCS(=O)c1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C18H20OS/c1-2-20(19)18-13-16-8-7-14-3-5-15(6-4-14)9-11-17(18)12-10-16/h3-6,10,12-13H,2,7-9,11H2,1H3
InChIKeyXALLWHKKTUPOMU-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(S)-tert-butylsulfinyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 139190010
5-ethyl-11-methyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 23525991
5-(bromomethyl)tetracyclo[14.2.2.24,7.210,13]tetracosa-1(19),4,6,10(22),11,13(21),16(20),17,23-nonaene
CID 15184281
1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine
CID 19878391
methyl tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxylate
CID 4200703
2-bromo-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone
CID 15657168
[11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane
CID 11585762
5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 15073818
ethyl (E)-2-methyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)prop-2-enoate
CID 101034362
2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile
CID 170886247
tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,12-dicarboxylic acid
CID 4072199
5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 21337608

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The IUPAC name of 5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (CID 24828782) is 5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.
What is the SMILES notation for 5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The canonical SMILES for 5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is CCS(=O)c1cc2ccc1CCc1ccc(cc1)CC2.
What is the InChIKey of 5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The InChIKey is XALLWHKKTUPOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS/c1-2-20(19)18-13-16-8-7-14-3-5-15(6-4-14)9-11-17(18)12-10-16/h3-6,10,12-13H,2,7-9,11H2,1H3.
What are the key properties of 5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene has a molecular weight of 284.42 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is sourced from PubChem (CID 24828782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).