(2-ethyl-2-methylbutyl) 2-methylsulfanylacetate

C10H20O2S — CID 139565697

IUPAC(2-ethyl-2-methylbutyl) 2-methylsulfanylacetate
SMILESCCC(C)(CC)COC(=O)CSC
InChIInChI=1S/C10H20O2S/c1-5-10(3,6-2)8-12-9(11)7-13-4/h5-8H2,1-4H3
InChIKeyKGNJOKHKIHXLOT-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.72
Rot. Bonds6

About (2-ethyl-2-methylbutyl) 2-methylsulfanylacetate

(2-ethyl-2-methylbutyl) 2-methylsulfanylacetate (PubChem CID 139565697) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is (2-ethyl-2-methylbutyl) 2-methylsulfanylacetate.

Molecular Properties

Compound Name(2-ethyl-2-methylbutyl) 2-methylsulfanylacetate
PubChem CID139565697
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name(2-ethyl-2-methylbutyl) 2-methylsulfanylacetate
SMILESCCC(C)(CC)COC(=O)CSC
InChIInChI=1S/C10H20O2S/c1-5-10(3,6-2)8-12-9(11)7-13-4/h5-8H2,1-4H3
InChIKeyKGNJOKHKIHXLOT-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-methylbutyl) 2-methylsulfanylacetate?
The IUPAC name of (2-ethyl-2-methylbutyl) 2-methylsulfanylacetate (CID 139565697) is (2-ethyl-2-methylbutyl) 2-methylsulfanylacetate.
What is the SMILES notation for (2-ethyl-2-methylbutyl) 2-methylsulfanylacetate?
The canonical SMILES for (2-ethyl-2-methylbutyl) 2-methylsulfanylacetate is CCC(C)(CC)COC(=O)CSC.
What is the InChIKey of (2-ethyl-2-methylbutyl) 2-methylsulfanylacetate?
The InChIKey is KGNJOKHKIHXLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-5-10(3,6-2)8-12-9(11)7-13-4/h5-8H2,1-4H3.
What are the key properties of (2-ethyl-2-methylbutyl) 2-methylsulfanylacetate?
(2-ethyl-2-methylbutyl) 2-methylsulfanylacetate has a molecular weight of 204.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-methylbutyl) 2-methylsulfanylacetate is sourced from PubChem (CID 139565697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).