1-(6,10-dithiaspiro[4.5]dec-2-en-3-yl)ethanone

C10H14OS2 — CID 11499490

IUPAC1-(6,10-dithiaspiro[4.5]dec-2-en-3-yl)ethanone
SMILESCC(=O)C1=CCC2(C1)SCCCS2
InChIInChI=1S/C10H14OS2/c1-8(11)9-3-4-10(7-9)12-5-2-6-13-10/h3H,2,4-7H2,1H3
InChIKeyYUVGXKXDFNJZOV-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.86
Rot. Bonds1

About 1-(6,10-dithiaspiro[4.5]dec-2-en-3-yl)ethanone

1-(6,10-dithiaspiro[4.5]dec-2-en-3-yl)ethanone (PubChem CID 11499490) has the molecular formula C10H14OS2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(6,10-dithiaspiro[4.5]dec-2-en-3-yl)ethanone.

Molecular Properties

Compound Name1-(6,10-dithiaspiro[4.5]dec-2-en-3-yl)ethanone
PubChem CID11499490
Molecular FormulaC10H14OS2
Molecular Weight214.35 g/mol
Exact Mass214.05
IUPAC Name1-(6,10-dithiaspiro[4.5]dec-2-en-3-yl)ethanone
SMILESCC(=O)C1=CCC2(C1)SCCCS2
InChIInChI=1S/C10H14OS2/c1-8(11)9-3-4-10(7-9)12-5-2-6-13-10/h3H,2,4-7H2,1H3
InChIKeyYUVGXKXDFNJZOV-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,10-dithiaspiro[4.5]dec-2-en-3-yl)ethanone?
The IUPAC name of 1-(6,10-dithiaspiro[4.5]dec-2-en-3-yl)ethanone (CID 11499490) is 1-(6,10-dithiaspiro[4.5]dec-2-en-3-yl)ethanone.
What is the SMILES notation for 1-(6,10-dithiaspiro[4.5]dec-2-en-3-yl)ethanone?
The canonical SMILES for 1-(6,10-dithiaspiro[4.5]dec-2-en-3-yl)ethanone is CC(=O)C1=CCC2(C1)SCCCS2.
What is the InChIKey of 1-(6,10-dithiaspiro[4.5]dec-2-en-3-yl)ethanone?
The InChIKey is YUVGXKXDFNJZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS2/c1-8(11)9-3-4-10(7-9)12-5-2-6-13-10/h3H,2,4-7H2,1H3.
What are the key properties of 1-(6,10-dithiaspiro[4.5]dec-2-en-3-yl)ethanone?
1-(6,10-dithiaspiro[4.5]dec-2-en-3-yl)ethanone has a molecular weight of 214.35 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,10-dithiaspiro[4.5]dec-2-en-3-yl)ethanone is sourced from PubChem (CID 11499490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).