[2-[[(2R,6S)-6-methyl-1,4-oxathian-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate

C11H16O5S — CID 129390363

IUPAC[2-[[(2R,6S)-6-methyl-1,4-oxathian-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)O[C@@H]1CSC[C@H](C)O1
InChIInChI=1S/C11H16O5S/c1-7(2)11(13)14-4-9(12)16-10-6-17-5-8(3)15-10/h8,10H,1,4-6H2,2-3H3/t8-,10+/m0/s1
InChIKeyIEJJMZGLCQZBQN-WCBMZHEXSA-N
MW260.31 g/mol
LogP1.13
Rot. Bonds4

About [2-[[(2R,6S)-6-methyl-1,4-oxathian-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate

[2-[[(2R,6S)-6-methyl-1,4-oxathian-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate (PubChem CID 129390363) has the molecular formula C11H16O5S and a molecular weight of 260.31 g/mol. Its IUPAC name is [2-[[(2R,6S)-6-methyl-1,4-oxathian-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[[(2R,6S)-6-methyl-1,4-oxathian-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate
PubChem CID129390363
Molecular FormulaC11H16O5S
Molecular Weight260.31 g/mol
Exact Mass260.07
IUPAC Name[2-[[(2R,6S)-6-methyl-1,4-oxathian-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)O[C@@H]1CSC[C@H](C)O1
InChIInChI=1S/C11H16O5S/c1-7(2)11(13)14-4-9(12)16-10-6-17-5-8(3)15-10/h8,10H,1,4-6H2,2-3H3/t8-,10+/m0/s1
InChIKeyIEJJMZGLCQZBQN-WCBMZHEXSA-N
XLogP1.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[[(2R,6S)-6-methyl-1,4-oxathian-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[[(2R,6S)-6-methyl-1,4-oxathian-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate (CID 129390363) is [2-[[(2R,6S)-6-methyl-1,4-oxathian-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[[(2R,6S)-6-methyl-1,4-oxathian-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[[(2R,6S)-6-methyl-1,4-oxathian-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)O[C@@H]1CSC[C@H](C)O1.
What is the InChIKey of [2-[[(2R,6S)-6-methyl-1,4-oxathian-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate?
The InChIKey is IEJJMZGLCQZBQN-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H16O5S/c1-7(2)11(13)14-4-9(12)16-10-6-17-5-8(3)15-10/h8,10H,1,4-6H2,2-3H3/t8-,10+/m0/s1.
What are the key properties of [2-[[(2R,6S)-6-methyl-1,4-oxathian-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate?
[2-[[(2R,6S)-6-methyl-1,4-oxathian-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate has a molecular weight of 260.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R,6S)-6-methyl-1,4-oxathian-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 129390363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).