8-(2-phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane

C16H18O2S — CID 86208240

IUPAC8-(2-phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane
SMILESC(=CSc1ccccc1)=C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H18O2S/c1-2-4-15(5-3-1)19-13-8-14-6-9-16(10-7-14)17-11-12-18-16/h1-5,13H,6-7,9-12H2
InChIKeyAJPHCRWJBPFSPU-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.13
Rot. Bonds2

About 8-(2-phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane

8-(2-phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane (PubChem CID 86208240) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 8-(2-phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane
PubChem CID86208240
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name8-(2-phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane
SMILESC(=CSc1ccccc1)=C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H18O2S/c1-2-4-15(5-3-1)19-13-8-14-6-9-16(10-7-14)17-11-12-18-16/h1-5,13H,6-7,9-12H2
InChIKeyAJPHCRWJBPFSPU-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
6-Methyl-3,3-dipentyl-6-(phenylsulfanylmethyl)-1,2,4-trioxane
CID 71597172
6-Methyl-6-(phenylsulfanylmethyl)-3,3-dipropyl-1,2,4-trioxane
CID 71597173
8-(Benzenesulfinyl)-1,4-dioxaspiro[4.4]nonane
CID 13479852
3-Methyl-3-(phenylsulfanylmethyl)-1,2,5-trioxaspiro[5.5]undecane
CID 11702072
8-(3-(Trifluoromethyl)phenylthio)-1,4-dioxaspiro[4.5]decane
CID 67054767
8-[4-(Trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane
CID 69192341
(4R)-2,2-dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 10977116
8-[1-(Benzenesulfinyl)-2-bromoethylidene]-1,4-dioxaspiro[4.5]decane
CID 12139975
2-[10-Methoxy-10-(phenylsulfanyl)decyl]-2-methyl-1,3-dioxolane
CID 13215969
1,4-Dioxaspiro[4.5]dec-8-YL phenyl sulfide
CID 14469714
2-Methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane
CID 15122645

Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(2-phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane (CID 86208240) is 8-(2-phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(2-phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(2-phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane is C(=CSc1ccccc1)=C1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2-phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane?
The InChIKey is AJPHCRWJBPFSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-2-4-15(5-3-1)19-13-8-14-6-9-16(10-7-14)17-11-12-18-16/h1-5,13H,6-7,9-12H2.
What are the key properties of 8-(2-phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane?
8-(2-phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane has a molecular weight of 274.38 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 86208240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).