methyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate

C10H16O6S — CID 6555935

IUPACmethyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
SMILESCOC(=O)C[C@@H]1CS(=O)(=O)C[C@H]1CC(=O)OC
InChIInChI=1S/C10H16O6S/c1-15-9(11)3-7-5-17(13,14)6-8(7)4-10(12)16-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyHIESNQRDMGFRDQ-HTQZYQBOSA-N
MW264.30 g/mol
LogP-0.23
Rot. Bonds4

About methyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate

methyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate (PubChem CID 6555935) has the molecular formula C10H16O6S and a molecular weight of 264.30 g/mol. Its IUPAC name is methyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
PubChem CID6555935
Molecular FormulaC10H16O6S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Namemethyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
SMILESCOC(=O)C[C@@H]1CS(=O)(=O)C[C@H]1CC(=O)OC
InChIInChI=1S/C10H16O6S/c1-15-9(11)3-7-5-17(13,14)6-8(7)4-10(12)16-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyHIESNQRDMGFRDQ-HTQZYQBOSA-N
XLogP-0.23
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate?
The IUPAC name of methyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate (CID 6555935) is methyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate.
What is the SMILES notation for methyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate?
The canonical SMILES for methyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate is COC(=O)C[C@@H]1CS(=O)(=O)C[C@H]1CC(=O)OC.
What is the InChIKey of methyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate?
The InChIKey is HIESNQRDMGFRDQ-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16O6S/c1-15-9(11)3-7-5-17(13,14)6-8(7)4-10(12)16-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of methyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate?
methyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate has a molecular weight of 264.30 g/mol, XLogP of -0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate is sourced from PubChem (CID 6555935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).