ethyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylpropanoate

C11H20O4S — CID 11448030

IUPACethyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylpropanoate
SMILESCCOC(=O)[C@](C)(SC)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O4S/c1-6-13-9(12)11(4,16-5)8-7-14-10(2,3)15-8/h8H,6-7H2,1-5H3/t8-,11+/m0/s1
InChIKeyUUILBRFTIVOMCI-GZMMTYOYSA-N
MW248.34 g/mol
LogP1.82
Rot. Bonds4

About ethyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylpropanoate

ethyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylpropanoate (PubChem CID 11448030) has the molecular formula C11H20O4S and a molecular weight of 248.34 g/mol. Its IUPAC name is ethyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylpropanoate
PubChem CID11448030
Molecular FormulaC11H20O4S
Molecular Weight248.34 g/mol
Exact Mass248.11
IUPAC Nameethyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylpropanoate
SMILESCCOC(=O)[C@](C)(SC)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O4S/c1-6-13-9(12)11(4,16-5)8-7-14-10(2,3)15-8/h8H,6-7H2,1-5H3/t8-,11+/m0/s1
InChIKeyUUILBRFTIVOMCI-GZMMTYOYSA-N
XLogP1.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate
CID 117168375
Methyl 2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate
CID 117168377
Methyl 2-[2-(thian-4-yl)-1,3-dioxolan-4-yl]acetate
CID 117168473
Methyl 2-[2-methyl-2-(thian-4-yl)-1,3-dioxolan-4-yl]acetate
CID 117168475
methyl (4R,5S)-5-ethylsulfanylcarbonyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
CID 177579533

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylpropanoate?
The IUPAC name of ethyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylpropanoate (CID 11448030) is ethyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylpropanoate.
What is the SMILES notation for ethyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylpropanoate?
The canonical SMILES for ethyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylpropanoate is CCOC(=O)[C@](C)(SC)[C@@H]1COC(C)(C)O1.
What is the InChIKey of ethyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylpropanoate?
The InChIKey is UUILBRFTIVOMCI-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H20O4S/c1-6-13-9(12)11(4,16-5)8-7-14-10(2,3)15-8/h8H,6-7H2,1-5H3/t8-,11+/m0/s1.
What are the key properties of ethyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylpropanoate?
ethyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylpropanoate has a molecular weight of 248.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylpropanoate is sourced from PubChem (CID 11448030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).