methyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate

C10H18O4S — CID 106493583

IUPACmethyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate
SMILESCOC(=O)C(C)(O)CSCC1CCCO1
InChIInChI=1S/C10H18O4S/c1-10(12,9(11)13-2)7-15-6-8-4-3-5-14-8/h8,12H,3-7H2,1-2H3
InChIKeyVXKSWMGXCDPOFZ-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.82
Rot. Bonds5

About methyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate

methyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate (PubChem CID 106493583) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate
PubChem CID106493583
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Namemethyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate
SMILESCOC(=O)C(C)(O)CSCC1CCCO1
InChIInChI=1S/C10H18O4S/c1-10(12,9(11)13-2)7-15-6-8-4-3-5-14-8/h8,12H,3-7H2,1-2H3
InChIKeyVXKSWMGXCDPOFZ-UHFFFAOYSA-N
XLogP0.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-2-(methylamino)-6-(oxolan-2-ylmethylsulfanyl)hexanoate
CID 106495524
methyl 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanoate
CID 106495684
methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
CID 30030904
methyl 2-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-(propylamino)hexanoate
CID 106495708
2-(ethylamino)-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanoic acid
CID 106495705
ethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate
CID 106495711
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
ethyl 2-(ethylamino)-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanoate
CID 106495604
methyl 2-(methylamino)-4-(oxolan-2-ylmethylsulfanyl)butanoate
CID 106495709
2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid
CID 103974658
2-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)-2-phenylpropanoic acid
CID 106495672
2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide
CID 106495681

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate (CID 106493583) is methyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate is COC(=O)C(C)(O)CSCC1CCCO1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate?
The InChIKey is VXKSWMGXCDPOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-10(12,9(11)13-2)7-15-6-8-4-3-5-14-8/h8,12H,3-7H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate?
methyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate has a molecular weight of 234.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate is sourced from PubChem (CID 106493583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).