ethyl 2,3-diethoxyprop-2-enoate

C9H16O4 — CID 54430458

IUPACethyl 2,3-diethoxyprop-2-enoate
SMILESCCOC=C(OCC)C(=O)OCC
InChIInChI=1S/C9H16O4/c1-4-11-7-8(12-5-2)9(10)13-6-3/h7H,4-6H2,1-3H3
InChIKeyWHCIOAMPKOLGSO-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.46
Rot. Bonds6

About ethyl 2,3-diethoxyprop-2-enoate

ethyl 2,3-diethoxyprop-2-enoate (PubChem CID 54430458) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is ethyl 2,3-diethoxyprop-2-enoate.

Molecular Properties

Compound Nameethyl 2,3-diethoxyprop-2-enoate
PubChem CID54430458
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Nameethyl 2,3-diethoxyprop-2-enoate
SMILESCCOC=C(OCC)C(=O)OCC
InChIInChI=1S/C9H16O4/c1-4-11-7-8(12-5-2)9(10)13-6-3/h7H,4-6H2,1-3H3
InChIKeyWHCIOAMPKOLGSO-UHFFFAOYSA-N
XLogP1.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 2,3-diethoxyprop-2-enoate?
The IUPAC name of ethyl 2,3-diethoxyprop-2-enoate (CID 54430458) is ethyl 2,3-diethoxyprop-2-enoate.
What is the SMILES notation for ethyl 2,3-diethoxyprop-2-enoate?
The canonical SMILES for ethyl 2,3-diethoxyprop-2-enoate is CCOC=C(OCC)C(=O)OCC.
What is the InChIKey of ethyl 2,3-diethoxyprop-2-enoate?
The InChIKey is WHCIOAMPKOLGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-4-11-7-8(12-5-2)9(10)13-6-3/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2,3-diethoxyprop-2-enoate?
ethyl 2,3-diethoxyprop-2-enoate has a molecular weight of 188.22 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-diethoxyprop-2-enoate is sourced from PubChem (CID 54430458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).