8-ethylsulfanyl-1,4-dioxaspiro[4.5]decane

C10H18O2S — CID 153377540

IUPAC8-ethylsulfanyl-1,4-dioxaspiro[4.5]decane
SMILESCCSC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H18O2S/c1-2-13-9-3-5-10(6-4-9)11-7-8-12-10/h9H,2-8H2,1H3
InChIKeyWINPFDSDLIHDMX-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.43
Rot. Bonds2

About 8-ethylsulfanyl-1,4-dioxaspiro[4.5]decane

8-ethylsulfanyl-1,4-dioxaspiro[4.5]decane (PubChem CID 153377540) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 8-ethylsulfanyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethylsulfanyl-1,4-dioxaspiro[4.5]decane
PubChem CID153377540
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name8-ethylsulfanyl-1,4-dioxaspiro[4.5]decane
SMILESCCSC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H18O2S/c1-2-13-9-3-5-10(6-4-9)11-7-8-12-10/h9H,2-8H2,1H3
InChIKeyWINPFDSDLIHDMX-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxa-9,12-dithiadispiro[4.2.48.25]tetradecane
CID 23529862
1,4-Dioxaspiro[4.5]decane, 8-(methylthio)-
CID 567366
(3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane
CID 134878056
S-(1,4-dioxaspiro[4.5]decan-8-yl) ethanethioate
CID 57976764
CID 60128155
CID 60128155
8-(Methylsulfonyl)-1,4-dioxaspiro[4.5]decane
CID 68587451
8-[(Cyclopropylmethyl)thio]-1,4-dioxaspiro[4.5]decane
CID 68682881
1,4-Dioxa-9,13-dithiadispiro[4.2.58.25]pentadecane
CID 101990156
O-ethyl 4-(2,2-dimethyl-1,3-dioxolan-4-yl)butylsulfanylmethanethioate
CID 132202173
2,2-Dimethyl-4-(5-methylsulfanylpentyl)-1,3-dioxolane
CID 134238844
(3R)-3-(1-ethylsulfanylethyl)-1,4-dioxaspiro[4.5]decane
CID 134443100
S-(1,4-dioxaspiro[4.5]decan-3-ylmethyl) ethanethioate
CID 137393970

Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfanyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-ethylsulfanyl-1,4-dioxaspiro[4.5]decane (CID 153377540) is 8-ethylsulfanyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-ethylsulfanyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-ethylsulfanyl-1,4-dioxaspiro[4.5]decane is CCSC1CCC2(CC1)OCCO2.
What is the InChIKey of 8-ethylsulfanyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is WINPFDSDLIHDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-2-13-9-3-5-10(6-4-9)11-7-8-12-10/h9H,2-8H2,1H3.
What are the key properties of 8-ethylsulfanyl-1,4-dioxaspiro[4.5]decane?
8-ethylsulfanyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 202.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfanyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 153377540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).