ethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate

C10H16O4 — CID 146164309

IUPACethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate
SMILESC=CC(=O)C(CC)(OC)C(=O)OCC
InChIInChI=1S/C10H16O4/c1-5-8(11)10(6-2,13-4)9(12)14-7-3/h5H,1,6-7H2,2-4H3
InChIKeyWLZZWNVMACAHFT-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.10
Rot. Bonds6

About ethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate

ethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate (PubChem CID 146164309) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate
PubChem CID146164309
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate
SMILESC=CC(=O)C(CC)(OC)C(=O)OCC
InChIInChI=1S/C10H16O4/c1-5-8(11)10(6-2,13-4)9(12)14-7-3/h5H,1,6-7H2,2-4H3
InChIKeyWLZZWNVMACAHFT-UHFFFAOYSA-N
XLogP1.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate?
The IUPAC name of ethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate (CID 146164309) is ethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate.
What is the SMILES notation for ethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate?
The canonical SMILES for ethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate is C=CC(=O)C(CC)(OC)C(=O)OCC.
What is the InChIKey of ethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate?
The InChIKey is WLZZWNVMACAHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-8(11)10(6-2,13-4)9(12)14-7-3/h5H,1,6-7H2,2-4H3.
What are the key properties of ethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate?
ethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate is sourced from PubChem (CID 146164309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).