ethyl 2-ethoxy-2-ethyl-3-oxobutanoate

C10H18O4 — CID 6420926

IUPACethyl 2-ethoxy-2-ethyl-3-oxobutanoate
SMILESCCOC(=O)C(CC)(OCC)C(C)=O
InChIInChI=1S/C10H18O4/c1-5-10(8(4)11,14-7-3)9(12)13-6-2/h5-7H2,1-4H3
InChIKeyMWVLWRNDPSFMQI-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.32
Rot. Bonds6

About ethyl 2-ethoxy-2-ethyl-3-oxobutanoate

ethyl 2-ethoxy-2-ethyl-3-oxobutanoate (PubChem CID 6420926) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-ethoxy-2-ethyl-3-oxobutanoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-2-ethyl-3-oxobutanoate
PubChem CID6420926
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 2-ethoxy-2-ethyl-3-oxobutanoate
SMILESCCOC(=O)C(CC)(OCC)C(C)=O
InChIInChI=1S/C10H18O4/c1-5-10(8(4)11,14-7-3)9(12)13-6-2/h5-7H2,1-4H3
InChIKeyMWVLWRNDPSFMQI-UHFFFAOYSA-N
XLogP1.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.32
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

ethyl 2-butoxy-2-ethyl-3-oxobutanoate
CID 174929475
methyl 2-ethoxy-2-ethyl-3-oxobutanoate
CID 174889693
ethyl 2-ethoxy-2-methylbutanoate
CID 21285842
diethyl 2,3-diethoxy-2,3-diethylbutanedioate
CID 139989312
ethyl (2S)-2-bromo-2-methyl-3-oxobutanoate
CID 101364312
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
ethyl (2R)-2-hydroxy-2-methyl-3-oxobutanoate
CID 101013682
ethyl 2,2-dibromo-3-oxobutanoate
CID 11231534
ethyl 2-acetyl-2-tert-butylperoxy-5-oxohexanoate
CID 46894774
ethyl 2-acetyl-4-oxo-2-(2-oxopropyl)pentanoate
CID 13025253
ethyl 2-(difluoromethyl)-2-ethyl-3-oxobutanoate
CID 154367287
ethyl 4-ethoxy-2,2,4-trimethyl-3-oxohexanoate
CID 116774844

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-2-ethyl-3-oxobutanoate?
The IUPAC name of ethyl 2-ethoxy-2-ethyl-3-oxobutanoate (CID 6420926) is ethyl 2-ethoxy-2-ethyl-3-oxobutanoate.
What is the SMILES notation for ethyl 2-ethoxy-2-ethyl-3-oxobutanoate?
The canonical SMILES for ethyl 2-ethoxy-2-ethyl-3-oxobutanoate is CCOC(=O)C(CC)(OCC)C(C)=O.
What is the InChIKey of ethyl 2-ethoxy-2-ethyl-3-oxobutanoate?
The InChIKey is MWVLWRNDPSFMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-10(8(4)11,14-7-3)9(12)13-6-2/h5-7H2,1-4H3.
What are the key properties of ethyl 2-ethoxy-2-ethyl-3-oxobutanoate?
ethyl 2-ethoxy-2-ethyl-3-oxobutanoate has a molecular weight of 202.25 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-2-ethyl-3-oxobutanoate is sourced from PubChem (CID 6420926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).