(3R)-3-(1-ethylsulfanylethyl)-1,4-dioxaspiro[4.5]decane

C12H22O2S — CID 134443100

IUPAC(3R)-3-(1-ethylsulfanylethyl)-1,4-dioxaspiro[4.5]decane
SMILESCCSC(C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C12H22O2S/c1-3-15-10(2)11-9-13-12(14-11)7-5-4-6-8-12/h10-11H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyZFLGPBIXRRDRAM-RRKGBCIJSA-N
MW230.37 g/mol
LogP3.20
Rot. Bonds3

About (3R)-3-(1-ethylsulfanylethyl)-1,4-dioxaspiro[4.5]decane

(3R)-3-(1-ethylsulfanylethyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 134443100) has the molecular formula C12H22O2S and a molecular weight of 230.37 g/mol. Its IUPAC name is (3R)-3-(1-ethylsulfanylethyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-(1-ethylsulfanylethyl)-1,4-dioxaspiro[4.5]decane
PubChem CID134443100
Molecular FormulaC12H22O2S
Molecular Weight230.37 g/mol
Exact Mass230.13
IUPAC Name(3R)-3-(1-ethylsulfanylethyl)-1,4-dioxaspiro[4.5]decane
SMILESCCSC(C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C12H22O2S/c1-3-15-10(2)11-9-13-12(14-11)7-5-4-6-8-12/h10-11H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyZFLGPBIXRRDRAM-RRKGBCIJSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-ethylsulfanylethyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (3R)-3-(1-ethylsulfanylethyl)-1,4-dioxaspiro[4.5]decane (CID 134443100) is (3R)-3-(1-ethylsulfanylethyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-(1-ethylsulfanylethyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (3R)-3-(1-ethylsulfanylethyl)-1,4-dioxaspiro[4.5]decane is CCSC(C)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of (3R)-3-(1-ethylsulfanylethyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is ZFLGPBIXRRDRAM-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H22O2S/c1-3-15-10(2)11-9-13-12(14-11)7-5-4-6-8-12/h10-11H,3-9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (3R)-3-(1-ethylsulfanylethyl)-1,4-dioxaspiro[4.5]decane?
(3R)-3-(1-ethylsulfanylethyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 230.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-ethylsulfanylethyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 134443100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).