ethyl 3-ethoxy-3-hydroxy-2-methylprop-2-enoate

C8H14O4 — CID 15972621

IUPACethyl 3-ethoxy-3-hydroxy-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=C(O)OCC
InChIInChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h9H,4-5H2,1-3H3
InChIKeyUWEPOPQVDJGSPE-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.38
Rot. Bonds4

About ethyl 3-ethoxy-3-hydroxy-2-methylprop-2-enoate

ethyl 3-ethoxy-3-hydroxy-2-methylprop-2-enoate (PubChem CID 15972621) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is ethyl 3-ethoxy-3-hydroxy-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-ethoxy-3-hydroxy-2-methylprop-2-enoate
PubChem CID15972621
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Nameethyl 3-ethoxy-3-hydroxy-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=C(O)OCC
InChIInChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h9H,4-5H2,1-3H3
InChIKeyUWEPOPQVDJGSPE-UHFFFAOYSA-N
XLogP1.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
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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Related Compounds

ethyl (E)-3-ethoxy-3-hydroxyprop-2-enoate
CID 637941
6-Hydroxy-2,2,5-trimethyl-1,3-dioxin-4-one
CID 13156598
6-Methoxy-2,2,5-trimethyl-1,3-dioxin-4-one
CID 15327226
CID 13026810
CID 13026810
(E)-1,3-diethoxy-2-methyl-3-oxoprop-1-en-1-olate
CID 13026811
Diethyl 2-sodio-2-methylmalonate
CID 23691603
sodium (E)-1,3-diethoxy-2-methyl-3-oxoprop-1-en-1-olate
CID 23692578
1,3-Diethoxy-2-methyl-3-oxoprop-1-en-1-olate
CID 101526542
(Z)-1,3-diethoxy-2-methyl-3-oxoprop-1-en-1-olate
CID 135040527
Sodium ethyl 3-hydroxy-2-methylprop-2-enoate
CID 139239958
Ethyl 3-ethoxy-2-fluoro-3-hydroxyprop-2-enoate
CID 15972253
ethyl (Z)-3-ethoxy-3-hydroxy-2-methylprop-2-enoate
CID 15963148

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxy-3-hydroxy-2-methylprop-2-enoate?
The IUPAC name of ethyl 3-ethoxy-3-hydroxy-2-methylprop-2-enoate (CID 15972621) is ethyl 3-ethoxy-3-hydroxy-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3-ethoxy-3-hydroxy-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3-ethoxy-3-hydroxy-2-methylprop-2-enoate is CCOC(=O)C(C)=C(O)OCC.
What is the InChIKey of ethyl 3-ethoxy-3-hydroxy-2-methylprop-2-enoate?
The InChIKey is UWEPOPQVDJGSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h9H,4-5H2,1-3H3.
What are the key properties of ethyl 3-ethoxy-3-hydroxy-2-methylprop-2-enoate?
ethyl 3-ethoxy-3-hydroxy-2-methylprop-2-enoate has a molecular weight of 174.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxy-3-hydroxy-2-methylprop-2-enoate is sourced from PubChem (CID 15972621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).