ethyl 4-methoxy-3-oxo-2-propan-2-ylpentanoate

C11H20O4 — CID 79616486

IUPACethyl 4-methoxy-3-oxo-2-propan-2-ylpentanoate
SMILESCCOC(=O)C(C(=O)C(C)OC)C(C)C
InChIInChI=1S/C11H20O4/c1-6-15-11(13)9(7(2)3)10(12)8(4)14-5/h7-9H,6H2,1-5H3
InChIKeyUBDZSIVFTFGDME-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.43
Rot. Bonds6

About ethyl 4-methoxy-3-oxo-2-propan-2-ylpentanoate

ethyl 4-methoxy-3-oxo-2-propan-2-ylpentanoate (PubChem CID 79616486) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 4-methoxy-3-oxo-2-propan-2-ylpentanoate.

Molecular Properties

Compound Nameethyl 4-methoxy-3-oxo-2-propan-2-ylpentanoate
PubChem CID79616486
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl 4-methoxy-3-oxo-2-propan-2-ylpentanoate
SMILESCCOC(=O)C(C(=O)C(C)OC)C(C)C
InChIInChI=1S/C11H20O4/c1-6-15-11(13)9(7(2)3)10(12)8(4)14-5/h7-9H,6H2,1-5H3
InChIKeyUBDZSIVFTFGDME-UHFFFAOYSA-N
XLogP1.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-O-ethyl 3-O-ethyl 2-propan-2-ylpropanedioate
CID 170522188
ethyl 2-methoxypropanoate;2-methoxypropanoic acid
CID 161483069
ethyl 2-methoxycarbonyloxypropanoate
CID 14620012
ethyl 4-ethyl-4-methoxy-3-oxo-2-propan-2-ylhexanoate
CID 116774871
ethyl 4-methoxy-4-methyl-3-oxo-2-propan-2-ylhexanoate
CID 116774835
ethanol;ethyl methyl carbonate
CID 161101393
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
CID 175269376
CID 175269376
1-O-ethyl 3-O-methyl (2S)-2-methoxypropanedioate
CID 97304780
ethyl 2-(fluoroamino)propanoate
CID 89108988
1-O,1-O-diethyl 2-O-propan-2-yl 2-acetamidoethane-1,1,2-tricarboxylate
CID 102516667

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-3-oxo-2-propan-2-ylpentanoate?
The IUPAC name of ethyl 4-methoxy-3-oxo-2-propan-2-ylpentanoate (CID 79616486) is ethyl 4-methoxy-3-oxo-2-propan-2-ylpentanoate.
What is the SMILES notation for ethyl 4-methoxy-3-oxo-2-propan-2-ylpentanoate?
The canonical SMILES for ethyl 4-methoxy-3-oxo-2-propan-2-ylpentanoate is CCOC(=O)C(C(=O)C(C)OC)C(C)C.
What is the InChIKey of ethyl 4-methoxy-3-oxo-2-propan-2-ylpentanoate?
The InChIKey is UBDZSIVFTFGDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-6-15-11(13)9(7(2)3)10(12)8(4)14-5/h7-9H,6H2,1-5H3.
What are the key properties of ethyl 4-methoxy-3-oxo-2-propan-2-ylpentanoate?
ethyl 4-methoxy-3-oxo-2-propan-2-ylpentanoate has a molecular weight of 216.28 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-3-oxo-2-propan-2-ylpentanoate is sourced from PubChem (CID 79616486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).