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

C10H18O2S — CID 131182894

IUPAC8-(methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane
SMILESCSCC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H18O2S/c1-13-8-9-2-4-10(5-3-9)11-6-7-12-10/h9H,2-8H2,1H3
InChIKeyGBYUOTHTESXRBY-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.28
Rot. Bonds2

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

8-(methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 131182894) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 8-(methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane
PubChem CID131182894
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name8-(methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane
SMILESCSCC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H18O2S/c1-13-8-9-2-4-10(5-3-9)11-6-7-12-10/h9H,2-8H2,1H3
InChIKeyGBYUOTHTESXRBY-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,10-Dioxa-1-thiadispiro[2.2.4^{6}.2^{3}]dodecane
CID 155820374
8-(3,3,3-Trifluoropropylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane
CID 58329716
2-[(2R,4S)-5-(1,3-dithian-2-yl)-4-methylpentan-2-yl]-2-methyl-1,3-dioxolane
CID 138976453
6-(Methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane
CID 316424
S-(1,4-dioxaspiro[4.5]decan-8-ylmethyl) ethanethioate
CID 58329689
8-(Methylsulfonylmethyl)-1,4-dioxaspiro[4.5]decane
CID 59312528
7-(1-Methylethyl)-1,4-dioxa-8-thiaspiro[4.5]decane
CID 59332732
(8-Methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite
CID 144600478
1,4-Dioxaspiro[4.5]decan-8-ylmethyl thiohypoiodite
CID 147605703
(7R,8R)-7-ethyl-8-methylsulfanyl-1,4-dioxaspiro[4.5]decane
CID 163618037
2-[[Cyclohexyl(methoxy)methoxy]methyl]thiolane
CID 178454279
8,11-Dioxa-2-thiadispiro[3.2.47.24]tridecane
CID 178759655

Frequently Asked Questions

What is the IUPAC name of 8-(methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane (CID 131182894) is 8-(methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane is CSCC1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is GBYUOTHTESXRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-13-8-9-2-4-10(5-3-9)11-6-7-12-10/h9H,2-8H2,1H3.
What are the key properties of 8-(methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane?
8-(methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 202.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 131182894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).