ethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate

C10H20O2S — CID 116853881

IUPACethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate
SMILESCCOC(=O)C(C)(C)SCC(C)C
InChIInChI=1S/C10H20O2S/c1-6-12-9(11)10(4,5)13-7-8(2)3/h8H,6-7H2,1-5H3
InChIKeyAYNHKMNHERLARC-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.72
Rot. Bonds5

About ethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate

ethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate (PubChem CID 116853881) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is ethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate
PubChem CID116853881
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Nameethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate
SMILESCCOC(=O)C(C)(C)SCC(C)C
InChIInChI=1S/C10H20O2S/c1-6-12-9(11)10(4,5)13-7-8(2)3/h8H,6-7H2,1-5H3
InChIKeyAYNHKMNHERLARC-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

ethyl 2-(3-cyanopropylsulfanyl)-2-methylpropanoate
CID 82531210
ethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate
CID 59267905
ethyl 2-hydroxy-2,5-dimethyl-3-(2-methylpropyl)hexanoate
CID 114868881
ethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate
CID 15650163
ethyl 2-methyl-4-(2-methylpropylsulfanyl)-2-(propylamino)pentanoate
CID 64710603
ethyl 2-methyl-2-(methylamino)-4-(2-methylpropylsulfanyl)pentanoate
CID 64712158
ethyl 2-[(4-aminophenyl)methylsulfanyl]-2-methylpropanoate
CID 82178685
ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate
CID 61001690
ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 131230217
ethyl 2-hydroxy-2,5-dimethylhex-3-ynoate
CID 18672296
ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate
CID 115128719
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate (CID 116853881) is ethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate is CCOC(=O)C(C)(C)SCC(C)C.
What is the InChIKey of ethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate?
The InChIKey is AYNHKMNHERLARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-6-12-9(11)10(4,5)13-7-8(2)3/h8H,6-7H2,1-5H3.
What are the key properties of ethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate?
ethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate has a molecular weight of 204.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate is sourced from PubChem (CID 116853881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).