ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate

C10H18O4 — CID 79616726

IUPACethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate
SMILESCCOC(=O)C(C)(C)C(=O)C(C)OC
InChIInChI=1S/C10H18O4/c1-6-14-9(12)10(3,4)8(11)7(2)13-5/h7H,6H2,1-5H3
InChIKeyXGNHUJGLJMFTRO-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.18
Rot. Bonds5

About ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate

ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate (PubChem CID 79616726) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate.

Molecular Properties

Compound Nameethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate
PubChem CID79616726
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate
SMILESCCOC(=O)C(C)(C)C(=O)C(C)OC
InChIInChI=1S/C10H18O4/c1-6-14-9(12)10(3,4)8(11)7(2)13-5/h7H,6H2,1-5H3
InChIKeyXGNHUJGLJMFTRO-UHFFFAOYSA-N
XLogP1.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2,2,4-trimethyl-3-oxohexanoate
CID 63717246
diethyl 2-methyl-2-(trideuteriomethyl)propanedioate
CID 151989927
ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate
CID 101058403
diethyl 2-(1-methoxypropyl)-2-methylpropanedioate
CID 131855392
ethyl 5-hydroxy-2,2,4-trimethyl-3-oxo-5-phenylpentanoate
CID 102242841
ethyl (2R)-2,3,3-trimethylbutanoate
CID 59132263
ethyl 5-hydroxy-3-methoxy-2,2,4-trimethylpentanoate
CID 175336768
ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 131230217
ethyl 2-methoxypropanoate;2-methoxypropanoic acid
CID 161483069
ethyl 4-ethylsulfanyl-2,2-dimethyl-3-oxobutanoate
CID 65127679
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918
CID 175269376
CID 175269376

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate?
The IUPAC name of ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate (CID 79616726) is ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate.
What is the SMILES notation for ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate?
The canonical SMILES for ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate is CCOC(=O)C(C)(C)C(=O)C(C)OC.
What is the InChIKey of ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate?
The InChIKey is XGNHUJGLJMFTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-6-14-9(12)10(3,4)8(11)7(2)13-5/h7H,6H2,1-5H3.
What are the key properties of ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate?
ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate has a molecular weight of 202.25 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate is sourced from PubChem (CID 79616726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).