ethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate

C10H20O2S — CID 59267905

IUPACethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S[C@H](C)CC
InChIInChI=1S/C10H20O2S/c1-6-8(3)13-10(4,5)9(11)12-7-2/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyJNBZHBXUGWXSSV-MRVPVSSYSA-N
MW204.33 g/mol
LogP2.86
Rot. Bonds5

About ethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate

ethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate (PubChem CID 59267905) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is ethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate
PubChem CID59267905
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Nameethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S[C@H](C)CC
InChIInChI=1S/C10H20O2S/c1-6-8(3)13-10(4,5)9(11)12-7-2/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyJNBZHBXUGWXSSV-MRVPVSSYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate
CID 116853881
ethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate
CID 15650163
ethyl 2,2,4-trimethyl-3-oxohexanoate
CID 63717246
ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate
CID 64712073
ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 131230217
ethyl 2-ethoxy-2,3-dimethylpentanoate
CID 140976070
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanoate
CID 59253287
ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate
CID 3246222
ethyl 2,2,5-trimethyl-4-oxohexanoate
CID 59702392
diethyl 2,2,3-trimethylpentanedioate
CID 13244610
diethyl 2-[(2R)-butan-2-yl]-2-chloropropanedioate
CID 640280

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate?
The IUPAC name of ethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate (CID 59267905) is ethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate?
The canonical SMILES for ethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate is CCOC(=O)C(C)(C)S[C@H](C)CC.
What is the InChIKey of ethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate?
The InChIKey is JNBZHBXUGWXSSV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-6-8(3)13-10(4,5)9(11)12-7-2/h8H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of ethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate?
ethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate has a molecular weight of 204.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate is sourced from PubChem (CID 59267905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).