tert-butyl 2-(2-methoxyethoxymethyl)prop-2-enoate

C11H20O4 — CID 11096016

IUPACtert-butyl 2-(2-methoxyethoxymethyl)prop-2-enoate
SMILESC=C(COCCOC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20O4/c1-9(8-14-7-6-13-5)10(12)15-11(2,3)4/h1,6-8H2,2-5H3
InChIKeyQWYYMLRHVCXEGV-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.55
Rot. Bonds6

About tert-butyl 2-(2-methoxyethoxymethyl)prop-2-enoate

tert-butyl 2-(2-methoxyethoxymethyl)prop-2-enoate (PubChem CID 11096016) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl 2-(2-methoxyethoxymethyl)prop-2-enoate.

Molecular Properties

Compound Nametert-butyl 2-(2-methoxyethoxymethyl)prop-2-enoate
PubChem CID11096016
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nametert-butyl 2-(2-methoxyethoxymethyl)prop-2-enoate
SMILESC=C(COCCOC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20O4/c1-9(8-14-7-6-13-5)10(12)15-11(2,3)4/h1,6-8H2,2-5H3
InChIKeyQWYYMLRHVCXEGV-UHFFFAOYSA-N
XLogP1.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.55
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 tert-butyl 2-(2-methoxyethoxymethyl)prop-2-enoate?
The IUPAC name of tert-butyl 2-(2-methoxyethoxymethyl)prop-2-enoate (CID 11096016) is tert-butyl 2-(2-methoxyethoxymethyl)prop-2-enoate.
What is the SMILES notation for tert-butyl 2-(2-methoxyethoxymethyl)prop-2-enoate?
The canonical SMILES for tert-butyl 2-(2-methoxyethoxymethyl)prop-2-enoate is C=C(COCCOC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methoxyethoxymethyl)prop-2-enoate?
The InChIKey is QWYYMLRHVCXEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-9(8-14-7-6-13-5)10(12)15-11(2,3)4/h1,6-8H2,2-5H3.
What are the key properties of tert-butyl 2-(2-methoxyethoxymethyl)prop-2-enoate?
tert-butyl 2-(2-methoxyethoxymethyl)prop-2-enoate has a molecular weight of 216.28 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methoxyethoxymethyl)prop-2-enoate is sourced from PubChem (CID 11096016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).