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

C9H12OS2 — CID 134937860

IUPAC1,5-dithiaspiro[5.5]undec-9-en-11-one
SMILESO=C1C=CCCC12SCCCS2
InChIInChI=1S/C9H12OS2/c10-8-4-1-2-5-9(8)11-6-3-7-12-9/h1,4H,2-3,5-7H2
InChIKeyMNRQOGRAUGISDL-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.47
Rot. Bonds

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

1,5-dithiaspiro[5.5]undec-9-en-11-one (PubChem CID 134937860) has the molecular formula C9H12OS2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1,5-dithiaspiro[5.5]undec-9-en-11-one.

Molecular Properties

Compound Name1,5-dithiaspiro[5.5]undec-9-en-11-one
PubChem CID134937860
Molecular FormulaC9H12OS2
Molecular Weight200.33 g/mol
Exact Mass200.03
IUPAC Name1,5-dithiaspiro[5.5]undec-9-en-11-one
SMILESO=C1C=CCCC12SCCCS2
InChIInChI=1S/C9H12OS2/c10-8-4-1-2-5-9(8)11-6-3-7-12-9/h1,4H,2-3,5-7H2
InChIKeyMNRQOGRAUGISDL-UHFFFAOYSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-Dithian-2-yl)cyclohex-2-en-1-one
CID 14710646
9-Methyl-1,5-dithiaspiro[5.5]undec-9-en-11-one
CID 5246940
1,5-Dithiaspiro[5.5]undec-10-en-9-one
CID 13723325
3-Thiabicyclo[3.3.1]non-7-en-6-one
CID 129888211
11-Ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-one
CID 10331293
1-(6,10-Dithiaspiro[4.5]dec-2-en-3-yl)ethanone
CID 11499490
6-(Methylsulfanyl)cyclohex-2-en-1-one
CID 13181046
6-(Thiolan-1-ium-1-yl)cyclohex-2-en-1-one
CID 21020830
4-(Thiolan-1-ium-1-yl)cyclohex-2-en-1-one
CID 23535052
Cyclohexyl-methyl-(2-oxocyclohex-3-en-1-yl)sulfanium
CID 23535095
Cyclohexyl-methyl-(4-oxocyclohex-2-en-1-yl)sulfanium
CID 23535096
Hexan-3-yl-methyl-(4-oxocyclohex-2-en-1-yl)sulfanium
CID 58718096

Frequently Asked Questions

What is the IUPAC name of 1,5-dithiaspiro[5.5]undec-9-en-11-one?
The IUPAC name of 1,5-dithiaspiro[5.5]undec-9-en-11-one (CID 134937860) is 1,5-dithiaspiro[5.5]undec-9-en-11-one.
What is the SMILES notation for 1,5-dithiaspiro[5.5]undec-9-en-11-one?
The canonical SMILES for 1,5-dithiaspiro[5.5]undec-9-en-11-one is O=C1C=CCCC12SCCCS2.
What is the InChIKey of 1,5-dithiaspiro[5.5]undec-9-en-11-one?
The InChIKey is MNRQOGRAUGISDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS2/c10-8-4-1-2-5-9(8)11-6-3-7-12-9/h1,4H,2-3,5-7H2.
What are the key properties of 1,5-dithiaspiro[5.5]undec-9-en-11-one?
1,5-dithiaspiro[5.5]undec-9-en-11-one has a molecular weight of 200.33 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dithiaspiro[5.5]undec-9-en-11-one is sourced from PubChem (CID 134937860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).