2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate

C8H14O4 — CID 173011903

IUPAC2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate
SMILESCCOC=C(C)C(=O)OCCO
InChIInChI=1S/C8H14O4/c1-3-11-6-7(2)8(10)12-5-4-9/h6,9H,3-5H2,1-2H3
InChIKeyGUCHADOOTYDXSR-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.46
Rot. Bonds5

About 2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate

2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate (PubChem CID 173011903) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate
PubChem CID173011903
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate
SMILESCCOC=C(C)C(=O)OCCO
InChIInChI=1S/C8H14O4/c1-3-11-6-7(2)8(10)12-5-4-9/h6,9H,3-5H2,1-2H3
InChIKeyGUCHADOOTYDXSR-UHFFFAOYSA-N
XLogP0.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.46
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

propyl (E)-3-ethoxy-2-methylprop-2-enoate
CID 88810340
ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
CID 174610941
octyl (Z)-3-ethoxy-2-methylprop-2-enoate
CID 59895705
2-hydroxyethyl 2-methylpent-2-enoate
CID 137318053
ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate
CID 173442797
dodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
CID 123232921
dodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate
CID 123776236
2-(2-hydroxyethoxy)ethyl 3-methoxy-2-methylprop-2-enoate
CID 90970805
2-hydroxyethyl 2-methylhept-2-enoate
CID 154084583
1-O-(4-hydroxybutyl) 6-O-(2-hydroxyethyl) (2E,4E)-2,5-dimethylhexa-2,4-dienedioate
CID 178064848
2-hydroxyethyl 5-hydroxy-2-methylhept-2-enoate
CID 57211942
oxiran-2-ylmethyl 3-ethoxy-2-methylprop-2-enoate
CID 175102529

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate?
The IUPAC name of 2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate (CID 173011903) is 2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate?
The canonical SMILES for 2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate is CCOC=C(C)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate?
The InChIKey is GUCHADOOTYDXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-3-11-6-7(2)8(10)12-5-4-9/h6,9H,3-5H2,1-2H3.
What are the key properties of 2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate?
2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate has a molecular weight of 174.20 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate is sourced from PubChem (CID 173011903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).