ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate

C12H22O4 — CID 106446640

IUPACethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate
SMILESC=C(COCCOCC(C)C)C(=O)OCC
InChIInChI=1S/C12H22O4/c1-5-16-12(13)11(4)9-15-7-6-14-8-10(2)3/h10H,4-9H2,1-3H3
InChIKeyREIQHLMDFJQDGJ-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.79
Rot. Bonds9

About ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate

ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate (PubChem CID 106446640) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate
PubChem CID106446640
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Nameethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate
SMILESC=C(COCCOCC(C)C)C(=O)OCC
InChIInChI=1S/C12H22O4/c1-5-16-12(13)11(4)9-15-7-6-14-8-10(2)3/h10H,4-9H2,1-3H3
InChIKeyREIQHLMDFJQDGJ-UHFFFAOYSA-N
XLogP1.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
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 ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate?
The IUPAC name of ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate (CID 106446640) is ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate is C=C(COCCOCC(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate?
The InChIKey is REIQHLMDFJQDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-5-16-12(13)11(4)9-15-7-6-14-8-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate?
ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate has a molecular weight of 230.30 g/mol, XLogP of 1.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate is sourced from PubChem (CID 106446640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).