[(2R)-1-ethoxy-1-oxopropan-2-yl] (E)-2-methylbut-2-enoate

C10H16O4 — CID 134883055

IUPAC[(2R)-1-ethoxy-1-oxopropan-2-yl] (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)O[C@H](C)C(=O)OCC
InChIInChI=1S/C10H16O4/c1-5-7(3)9(11)14-8(4)10(12)13-6-2/h5,8H,6H2,1-4H3/b7-5+/t8-/m1/s1
InChIKeyCRWOOPBLPSYRNL-WVXIBAHESA-N
MW200.23 g/mol
LogP1.45
Rot. Bonds4

About [(2R)-1-ethoxy-1-oxopropan-2-yl] (E)-2-methylbut-2-enoate

[(2R)-1-ethoxy-1-oxopropan-2-yl] (E)-2-methylbut-2-enoate (PubChem CID 134883055) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [(2R)-1-ethoxy-1-oxopropan-2-yl] (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Name[(2R)-1-ethoxy-1-oxopropan-2-yl] (E)-2-methylbut-2-enoate
PubChem CID134883055
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[(2R)-1-ethoxy-1-oxopropan-2-yl] (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)O[C@H](C)C(=O)OCC
InChIInChI=1S/C10H16O4/c1-5-7(3)9(11)14-8(4)10(12)13-6-2/h5,8H,6H2,1-4H3/b7-5+/t8-/m1/s1
InChIKeyCRWOOPBLPSYRNL-WVXIBAHESA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(2R)-1-ethoxy-1-oxopropan-2-yl] (E)-2-methylbut-2-enoate?
The IUPAC name of [(2R)-1-ethoxy-1-oxopropan-2-yl] (E)-2-methylbut-2-enoate (CID 134883055) is [(2R)-1-ethoxy-1-oxopropan-2-yl] (E)-2-methylbut-2-enoate.
What is the SMILES notation for [(2R)-1-ethoxy-1-oxopropan-2-yl] (E)-2-methylbut-2-enoate?
The canonical SMILES for [(2R)-1-ethoxy-1-oxopropan-2-yl] (E)-2-methylbut-2-enoate is C/C=C(\C)C(=O)O[C@H](C)C(=O)OCC.
What is the InChIKey of [(2R)-1-ethoxy-1-oxopropan-2-yl] (E)-2-methylbut-2-enoate?
The InChIKey is CRWOOPBLPSYRNL-WVXIBAHESA-N. The full InChI is InChI=1S/C10H16O4/c1-5-7(3)9(11)14-8(4)10(12)13-6-2/h5,8H,6H2,1-4H3/b7-5+/t8-/m1/s1.
What are the key properties of [(2R)-1-ethoxy-1-oxopropan-2-yl] (E)-2-methylbut-2-enoate?
[(2R)-1-ethoxy-1-oxopropan-2-yl] (E)-2-methylbut-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-ethoxy-1-oxopropan-2-yl] (E)-2-methylbut-2-enoate is sourced from PubChem (CID 134883055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).