ethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate

C11H18O4 — CID 24977962

IUPACethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate
SMILESC=CC(OC)C(C)(C(C)=O)C(=O)OCC
InChIInChI=1S/C11H18O4/c1-6-9(14-5)11(4,8(3)12)10(13)15-7-2/h6,9H,1,7H2,2-5H3
InChIKeyZRAGNYPDXUQZSL-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.35
Rot. Bonds6

About ethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate

ethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate (PubChem CID 24977962) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate.

Molecular Properties

Compound Nameethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate
PubChem CID24977962
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate
SMILESC=CC(OC)C(C)(C(C)=O)C(=O)OCC
InChIInChI=1S/C11H18O4/c1-6-9(14-5)11(4,8(3)12)10(13)15-7-2/h6,9H,1,7H2,2-5H3
InChIKeyZRAGNYPDXUQZSL-UHFFFAOYSA-N
XLogP1.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate 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

diethyl 2-(1-methoxypropyl)-2-methylpropanedioate
CID 131855392
ethyl 2-acetyl-2-but-3-en-2-yl-3-methylpent-4-enoate
CID 21490480
ethyl (2S)-2-acetyl-2-methylpent-4-enoate
CID 10943138
ethyl 2-acetyl-2-methylpent-4-enoate
CID 10910217
ethyl 2-(ethylamino)-2-methylbut-3-enoate
CID 123159457
ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate
CID 101058403
diethyl 2-(1-bromo-3-oxopropan-2-yl)-2-methylpropanedioate
CID 10968870
diethyl 2-[(Z)-but-2-en-2-yl]-2-methylpropanedioate
CID 92524239
ethyl (2R)-2-hydroxy-2-methyl-3-oxobutanoate
CID 101013682
1-O-ethyl 4-O-methyl 2-acetyl-3-(4-methoxyanilino)-2-methylbutanedioate
CID 138980567
1-O-ethyl 4-O-prop-2-enyl 2,2,3,3-tetramethylbutanedioate
CID 59122625
ethyl (E,2S,3R)-2-acetyl-5-(4-methoxyphenyl)-2,3-dimethylpent-4-enoate
CID 102471778

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate?
The IUPAC name of ethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate (CID 24977962) is ethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate.
What is the SMILES notation for ethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate?
The canonical SMILES for ethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate is C=CC(OC)C(C)(C(C)=O)C(=O)OCC.
What is the InChIKey of ethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate?
The InChIKey is ZRAGNYPDXUQZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-6-9(14-5)11(4,8(3)12)10(13)15-7-2/h6,9H,1,7H2,2-5H3.
What are the key properties of ethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate?
ethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate is sourced from PubChem (CID 24977962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).