ethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate

C10H14O4 — CID 64919879

IUPACethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate
SMILESCCOC(=O)C(=O)C(C)C(=O)C1CC1
InChIInChI=1S/C10H14O4/c1-3-14-10(13)9(12)6(2)8(11)7-4-5-7/h6-7H,3-5H2,1-2H3
InChIKeyJTGJEXZUMXEBLT-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.73
Rot. Bonds5

About ethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate

ethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate (PubChem CID 64919879) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate
PubChem CID64919879
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nameethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate
SMILESCCOC(=O)C(=O)C(C)C(=O)C1CC1
InChIInChI=1S/C10H14O4/c1-3-14-10(13)9(12)6(2)8(11)7-4-5-7/h6-7H,3-5H2,1-2H3
InChIKeyJTGJEXZUMXEBLT-UHFFFAOYSA-N
XLogP0.73
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-cyclopropyl-2-oxoacetate
CID 18370816
ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate
CID 171098969
ethyl 4-cyclohexyl-4-hydroxyimino-3-methyl-2-oxobutanoate
CID 86648130
ethyl 2-(cyclopropanecarbonyl)pentanoate
CID 83049474
ethane;ethyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-oxobutanoate
CID 142190592
ethyl 2-(cyclopropanecarbonylamino)propanoate
CID 58636709
1-O-ethyl 6-O-methyl 3-methyl-2,4-dioxohexanedioate
CID 101372700
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
ethyl 4-(2-methylpropyl)cyclohexane-1-carboxylate
CID 148815962
tert-butyl 3-(4-ethylcyclohexyl)-2-methyl-3-oxopropanoate
CID 66339441
1-cyclopropyl-2,4-dimethylpentane-1,3-dione
CID 64920290
ethyl 2-(4-methylcyclohexanecarbonyl)pentanoate
CID 83049892

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate?
The IUPAC name of ethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate (CID 64919879) is ethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate.
What is the SMILES notation for ethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate?
The canonical SMILES for ethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate is CCOC(=O)C(=O)C(C)C(=O)C1CC1.
What is the InChIKey of ethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate?
The InChIKey is JTGJEXZUMXEBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-14-10(13)9(12)6(2)8(11)7-4-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate?
ethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate has a molecular weight of 198.22 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate is sourced from PubChem (CID 64919879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).