tert-butyl 3-(2-methylsulfanylethoxy)propanoate

C10H20O3S — CID 134423942

IUPACtert-butyl 3-(2-methylsulfanylethoxy)propanoate
SMILESCSCCOCCC(=O)OC(C)(C)C
InChIInChI=1S/C10H20O3S/c1-10(2,3)13-9(11)5-6-12-7-8-14-4/h5-8H2,1-4H3
InChIKeySKBZQNDWYREZAK-UHFFFAOYSA-N
MW220.33 g/mol
LogP2.10
Rot. Bonds6

About tert-butyl 3-(2-methylsulfanylethoxy)propanoate

tert-butyl 3-(2-methylsulfanylethoxy)propanoate (PubChem CID 134423942) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is tert-butyl 3-(2-methylsulfanylethoxy)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(2-methylsulfanylethoxy)propanoate
PubChem CID134423942
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Nametert-butyl 3-(2-methylsulfanylethoxy)propanoate
SMILESCSCCOCCC(=O)OC(C)(C)C
InChIInChI=1S/C10H20O3S/c1-10(2,3)13-9(11)5-6-12-7-8-14-4/h5-8H2,1-4H3
InChIKeySKBZQNDWYREZAK-UHFFFAOYSA-N
XLogP2.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 3-(2-methylsulfanylethoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 102514802
tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170917699
tert-butyl 3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078415
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078361
tert-butyl 3-(3-methoxypropoxy)propanoate
CID 116659194
tert-butyl 3-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 123132148
tert-butyl 3-[2-(hydroxymethyl)-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]propoxy]propanoate
CID 11813332
3-(2-methylsulfanylethoxy)propanoic acid
CID 127003779
tert-butyl 3-[3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]propoxy]propanoate
CID 89312273
tert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate
CID 14833119

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methylsulfanylethoxy)propanoate?
The IUPAC name of tert-butyl 3-(2-methylsulfanylethoxy)propanoate (CID 134423942) is tert-butyl 3-(2-methylsulfanylethoxy)propanoate.
What is the SMILES notation for tert-butyl 3-(2-methylsulfanylethoxy)propanoate?
The canonical SMILES for tert-butyl 3-(2-methylsulfanylethoxy)propanoate is CSCCOCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(2-methylsulfanylethoxy)propanoate?
The InChIKey is SKBZQNDWYREZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-10(2,3)13-9(11)5-6-12-7-8-14-4/h5-8H2,1-4H3.
What are the key properties of tert-butyl 3-(2-methylsulfanylethoxy)propanoate?
tert-butyl 3-(2-methylsulfanylethoxy)propanoate has a molecular weight of 220.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methylsulfanylethoxy)propanoate is sourced from PubChem (CID 134423942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).