2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate

C11H19FO5 — CID 173211401

IUPAC2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OCCOCCOCCOF
InChIInChI=1S/C11H19FO5/c1-3-10(2)11(13)16-8-6-14-4-5-15-7-9-17-12/h3H,4-9H2,1-2H3
InChIKeyZCCIKNXKWJGYFT-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.43
Rot. Bonds10

About 2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate

2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate (PubChem CID 173211401) has the molecular formula C11H19FO5 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate.

Molecular Properties

Compound Name2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate
PubChem CID173211401
Molecular FormulaC11H19FO5
Molecular Weight250.27 g/mol
Exact Mass250.12
IUPAC Name2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OCCOCCOCCOF
InChIInChI=1S/C11H19FO5/c1-3-10(2)11(13)16-8-6-14-4-5-15-7-9-17-12/h3H,4-9H2,1-2H3
InChIKeyZCCIKNXKWJGYFT-UHFFFAOYSA-N
XLogP1.43
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.43
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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Related Compounds

2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate
CID 91611990
2-(2-methylpropoxy)ethyl 2-methylbut-2-enoate
CID 174686626
2-(2-methylbut-2-enoyloxy)ethylphosphonic acid
CID 91184370
2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate
CID 174745947
hydroxymethyl (E)-2-methylbut-2-enoate
CID 87487357
2-(2-hydroxyethoxy)ethyl 3-methoxy-2-methylprop-2-enoate
CID 90970805
3-(diethylamino)propyl 2-methylbut-2-enoate
CID 150789406
azane;3-hydroxypropyl 2-methylbut-2-enoate;hydrochloride
CID 173093194
undecyl (E)-2-methylbut-2-enoate
CID 91701896
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate?
The IUPAC name of 2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate (CID 173211401) is 2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate.
What is the SMILES notation for 2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate?
The canonical SMILES for 2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate is CC=C(C)C(=O)OCCOCCOCCOF.
What is the InChIKey of 2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate?
The InChIKey is ZCCIKNXKWJGYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO5/c1-3-10(2)11(13)16-8-6-14-4-5-15-7-9-17-12/h3H,4-9H2,1-2H3.
What are the key properties of 2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate?
2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate has a molecular weight of 250.27 g/mol, XLogP of 1.43, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate is sourced from PubChem (CID 173211401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).