ethyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane

C8H20OS — CID 123823293

IUPACethyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane
SMILESCCS(C)(C)OC(C)(C)C
InChIInChI=1S/C8H20OS/c1-7-10(5,6)9-8(2,3)4/h7H2,1-6H3
InChIKeyRAKHIQUOEOYOBD-UHFFFAOYSA-N
MW164.31 g/mol
LogP2.80
Rot. Bonds2

About ethyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane

ethyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane (PubChem CID 123823293) has the molecular formula C8H20OS and a molecular weight of 164.31 g/mol. Its IUPAC name is ethyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane.

Molecular Properties

Compound Nameethyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane
PubChem CID123823293
Molecular FormulaC8H20OS
Molecular Weight164.31 g/mol
Exact Mass164.12
IUPAC Nameethyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane
SMILESCCS(C)(C)OC(C)(C)C
InChIInChI=1S/C8H20OS/c1-7-10(5,6)9-8(2,3)4/h7H2,1-6H3
InChIKeyRAKHIQUOEOYOBD-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane?
The IUPAC name of ethyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane (CID 123823293) is ethyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane.
What is the SMILES notation for ethyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane?
The canonical SMILES for ethyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane is CCS(C)(C)OC(C)(C)C.
What is the InChIKey of ethyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane?
The InChIKey is RAKHIQUOEOYOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20OS/c1-7-10(5,6)9-8(2,3)4/h7H2,1-6H3.
What are the key properties of ethyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane?
ethyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane has a molecular weight of 164.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane is sourced from PubChem (CID 123823293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).