3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butane-1-thiol

C11H24O2S — CID 89380066

IUPAC3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butane-1-thiol
SMILESCC(C)(C)OCCOC(C)(C)CCS
InChIInChI=1S/C11H24O2S/c1-10(2,3)12-7-8-13-11(4,5)6-9-14/h14H,6-9H2,1-5H3
InChIKeyYTDLTKXZYBRILL-UHFFFAOYSA-N
MW220.38 g/mol
LogP2.92
Rot. Bonds6

About 3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butane-1-thiol

3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butane-1-thiol (PubChem CID 89380066) has the molecular formula C11H24O2S and a molecular weight of 220.38 g/mol. Its IUPAC name is 3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butane-1-thiol.

Molecular Properties

Compound Name3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butane-1-thiol
PubChem CID89380066
Molecular FormulaC11H24O2S
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Name3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butane-1-thiol
SMILESCC(C)(C)OCCOC(C)(C)CCS
InChIInChI=1S/C11H24O2S/c1-10(2,3)12-7-8-13-11(4,5)6-9-14/h14H,6-9H2,1-5H3
InChIKeyYTDLTKXZYBRILL-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-Propoxyethoxy)propane-2-thiol
CID 22114420
2-[2-(2-Propan-2-yloxyethoxy)ethoxy]ethanethiol
CID 57536266
2-[2-(3-Methylbutoxy)ethoxy]ethanethiol
CID 58299548
2-[2-(2-Tert-butylsulfanylethoxy)ethoxy]-2-methylpropane
CID 58408753
3-(2-Propoxyethoxy)propane-1-thiol
CID 80013156
2-[2-(1-Methoxypropan-2-yloxy)ethoxy]ethanethiol
CID 80013667
2-[2-(2-Propoxyethoxy)ethoxy]ethanethiol
CID 80014215
2-(2-Methylbutan-2-yloxy)ethanethiol
CID 80014435
3-(2-Propan-2-yloxyethoxy)propane-1-thiol
CID 80026633
2,2-Dimethyl-3-(2-methylbutan-2-yloxy)propane-1-thiol
CID 80026889
2-[2-[(2-Methylpropan-2-yl)oxy]ethoxy]ethanethiol
CID 80026995
4-(2-Methylbutan-2-yloxy)butane-1-thiol
CID 80027990

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butane-1-thiol?
The IUPAC name of 3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butane-1-thiol (CID 89380066) is 3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butane-1-thiol.
What is the SMILES notation for 3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butane-1-thiol?
The canonical SMILES for 3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butane-1-thiol is CC(C)(C)OCCOC(C)(C)CCS.
What is the InChIKey of 3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butane-1-thiol?
The InChIKey is YTDLTKXZYBRILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S/c1-10(2,3)12-7-8-13-11(4,5)6-9-14/h14H,6-9H2,1-5H3.
What are the key properties of 3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butane-1-thiol?
3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butane-1-thiol has a molecular weight of 220.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butane-1-thiol is sourced from PubChem (CID 89380066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).