methyl 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoate

C12H22O5 — CID 104559734

IUPACmethyl 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoate
SMILESCCC(=CCOCCOCCOC)C(=O)OC
InChIInChI=1S/C12H22O5/c1-4-11(12(13)15-3)5-6-16-9-10-17-8-7-14-2/h5H,4,6-10H2,1-3H3
InChIKeyMYLYUFVOFHKUQV-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.18
Rot. Bonds10

About methyl 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoate

methyl 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoate (PubChem CID 104559734) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is methyl 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoate
PubChem CID104559734
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Namemethyl 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoate
SMILESCCC(=CCOCCOCCOC)C(=O)OC
InChIInChI=1S/C12H22O5/c1-4-11(12(13)15-3)5-6-16-9-10-17-8-7-14-2/h5H,4,6-10H2,1-3H3
InChIKeyMYLYUFVOFHKUQV-UHFFFAOYSA-N
XLogP1.18
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoate?
The IUPAC name of methyl 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoate (CID 104559734) is methyl 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoate.
What is the SMILES notation for methyl 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoate?
The canonical SMILES for methyl 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoate is CCC(=CCOCCOCCOC)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoate?
The InChIKey is MYLYUFVOFHKUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-4-11(12(13)15-3)5-6-16-9-10-17-8-7-14-2/h5H,4,6-10H2,1-3H3.
What are the key properties of methyl 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoate?
methyl 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoate has a molecular weight of 246.30 g/mol, XLogP of 1.18, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoate is sourced from PubChem (CID 104559734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).