2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate

C8H14O4 — CID 11321244

IUPAC2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCO
InChIInChI=1S/C8H14O4/c1-7(2)8(10)12-6-5-11-4-3-9/h9H,1,3-6H2,2H3
InChIKeyOLQFXOWPTQTLDP-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.11
Rot. Bonds6

About 2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate

2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate (PubChem CID 11321244) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate
PubChem CID11321244
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCO
InChIInChI=1S/C8H14O4/c1-7(2)8(10)12-6-5-11-4-3-9/h9H,1,3-6H2,2H3
InChIKeyOLQFXOWPTQTLDP-UHFFFAOYSA-N
XLogP0.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate (CID 11321244) is 2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate?
The InChIKey is OLQFXOWPTQTLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-7(2)8(10)12-6-5-11-4-3-9/h9H,1,3-6H2,2H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate?
2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate has a molecular weight of 174.20 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 11321244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).