11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-one

C11H14OS2 — CID 10331293

IUPAC11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-one
SMILESC=CC1=CC(=O)CCC12SCCCS2
InChIInChI=1S/C11H14OS2/c1-2-9-8-10(12)4-5-11(9)13-6-3-7-14-11/h2,8H,1,3-7H2
InChIKeyLCJHTYHGPFVXDN-UHFFFAOYSA-N
MW226.37 g/mol
LogP3.03
Rot. Bonds1

About 11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-one

11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-one (PubChem CID 10331293) has the molecular formula C11H14OS2 and a molecular weight of 226.37 g/mol. Its IUPAC name is 11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-one.

Molecular Properties

Compound Name11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-one
PubChem CID10331293
Molecular FormulaC11H14OS2
Molecular Weight226.37 g/mol
Exact Mass226.05
IUPAC Name11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-one
SMILESC=CC1=CC(=O)CCC12SCCCS2
InChIInChI=1S/C11H14OS2/c1-2-9-8-10(12)4-5-11(9)13-6-3-7-14-11/h2,8H,1,3-7H2
InChIKeyLCJHTYHGPFVXDN-UHFFFAOYSA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-one?
The IUPAC name of 11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-one (CID 10331293) is 11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-one.
What is the SMILES notation for 11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-one?
The canonical SMILES for 11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-one is C=CC1=CC(=O)CCC12SCCCS2.
What is the InChIKey of 11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-one?
The InChIKey is LCJHTYHGPFVXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS2/c1-2-9-8-10(12)4-5-11(9)13-6-3-7-14-11/h2,8H,1,3-7H2.
What are the key properties of 11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-one?
11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-one has a molecular weight of 226.37 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-one is sourced from PubChem (CID 10331293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).