2-ethoxyethyl 2-ethoxyprop-2-enoate

C9H16O4 — CID 57101637

IUPAC2-ethoxyethyl 2-ethoxyprop-2-enoate
SMILESC=C(OCC)C(=O)OCCOCC
InChIInChI=1S/C9H16O4/c1-4-11-6-7-13-9(10)8(3)12-5-2/h3-7H2,1-2H3
InChIKeyJTQLQYOIFYCDCW-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.12
Rot. Bonds7

About 2-ethoxyethyl 2-ethoxyprop-2-enoate

2-ethoxyethyl 2-ethoxyprop-2-enoate (PubChem CID 57101637) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-ethoxyethyl 2-ethoxyprop-2-enoate.

Molecular Properties

Compound Name2-ethoxyethyl 2-ethoxyprop-2-enoate
PubChem CID57101637
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-ethoxyethyl 2-ethoxyprop-2-enoate
SMILESC=C(OCC)C(=O)OCCOCC
InChIInChI=1S/C9H16O4/c1-4-11-6-7-13-9(10)8(3)12-5-2/h3-7H2,1-2H3
InChIKeyJTQLQYOIFYCDCW-UHFFFAOYSA-N
XLogP1.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 23189778
ethyl 2-(ethoxymethoxy)prop-2-enoate
CID 12870084
ethyl 2-[2-(2-cyanoethoxy)ethoxy]prop-2-enoate
CID 22413889
2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate
CID 174488486
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
octadecyl 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate
CID 87894967
2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 175050176
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methoxyprop-2-enoate
CID 175188156
ethane;methoxyethane;2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21465850

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-ethoxyprop-2-enoate?
The IUPAC name of 2-ethoxyethyl 2-ethoxyprop-2-enoate (CID 57101637) is 2-ethoxyethyl 2-ethoxyprop-2-enoate.
What is the SMILES notation for 2-ethoxyethyl 2-ethoxyprop-2-enoate?
The canonical SMILES for 2-ethoxyethyl 2-ethoxyprop-2-enoate is C=C(OCC)C(=O)OCCOCC.
What is the InChIKey of 2-ethoxyethyl 2-ethoxyprop-2-enoate?
The InChIKey is JTQLQYOIFYCDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-4-11-6-7-13-9(10)8(3)12-5-2/h3-7H2,1-2H3.
What are the key properties of 2-ethoxyethyl 2-ethoxyprop-2-enoate?
2-ethoxyethyl 2-ethoxyprop-2-enoate has a molecular weight of 188.22 g/mol, XLogP of 1.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-ethoxyprop-2-enoate is sourced from PubChem (CID 57101637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).