[(2R)-2-acetyloxy-2-(5-methylthiophen-2-yl)ethyl] acetate

C11H14O4S — CID 163103892

IUPAC[(2R)-2-acetyloxy-2-(5-methylthiophen-2-yl)ethyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)c1ccc(C)s1
InChIInChI=1S/C11H14O4S/c1-7-4-5-11(16-7)10(15-9(3)13)6-14-8(2)12/h4-5,10H,6H2,1-3H3/t10-/m1/s1
InChIKeyDTHPJWPRPJTZOC-SNVBAGLBSA-N
MW242.30 g/mol
LogP2.22
Rot. Bonds4

About [(2R)-2-acetyloxy-2-(5-methylthiophen-2-yl)ethyl] acetate

[(2R)-2-acetyloxy-2-(5-methylthiophen-2-yl)ethyl] acetate (PubChem CID 163103892) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-2-(5-methylthiophen-2-yl)ethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-acetyloxy-2-(5-methylthiophen-2-yl)ethyl] acetate
PubChem CID163103892
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name[(2R)-2-acetyloxy-2-(5-methylthiophen-2-yl)ethyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)c1ccc(C)s1
InChIInChI=1S/C11H14O4S/c1-7-4-5-11(16-7)10(15-9(3)13)6-14-8(2)12/h4-5,10H,6H2,1-3H3/t10-/m1/s1
InChIKeyDTHPJWPRPJTZOC-SNVBAGLBSA-N
XLogP2.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-2-(5-methylthiophen-2-yl)ethyl] acetate?
The IUPAC name of [(2R)-2-acetyloxy-2-(5-methylthiophen-2-yl)ethyl] acetate (CID 163103892) is [(2R)-2-acetyloxy-2-(5-methylthiophen-2-yl)ethyl] acetate.
What is the SMILES notation for [(2R)-2-acetyloxy-2-(5-methylthiophen-2-yl)ethyl] acetate?
The canonical SMILES for [(2R)-2-acetyloxy-2-(5-methylthiophen-2-yl)ethyl] acetate is CC(=O)OC[C@@H](OC(C)=O)c1ccc(C)s1.
What is the InChIKey of [(2R)-2-acetyloxy-2-(5-methylthiophen-2-yl)ethyl] acetate?
The InChIKey is DTHPJWPRPJTZOC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14O4S/c1-7-4-5-11(16-7)10(15-9(3)13)6-14-8(2)12/h4-5,10H,6H2,1-3H3/t10-/m1/s1.
What are the key properties of [(2R)-2-acetyloxy-2-(5-methylthiophen-2-yl)ethyl] acetate?
[(2R)-2-acetyloxy-2-(5-methylthiophen-2-yl)ethyl] acetate has a molecular weight of 242.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetyloxy-2-(5-methylthiophen-2-yl)ethyl] acetate is sourced from PubChem (CID 163103892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).