(2,2-diethoxy-2-methoxyethyl) 2-methylprop-2-enoate

C11H20O5 — CID 19792354

IUPAC(2,2-diethoxy-2-methoxyethyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(OC)(OCC)OCC
InChIInChI=1S/C11H20O5/c1-6-15-11(13-5,16-7-2)8-14-10(12)9(3)4/h3,6-8H2,1-2,4-5H3
InChIKeyURYWXMHZLSZSNE-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.48
Rot. Bonds8

About (2,2-diethoxy-2-methoxyethyl) 2-methylprop-2-enoate

(2,2-diethoxy-2-methoxyethyl) 2-methylprop-2-enoate (PubChem CID 19792354) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2,2-diethoxy-2-methoxyethyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,2-diethoxy-2-methoxyethyl) 2-methylprop-2-enoate
PubChem CID19792354
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(2,2-diethoxy-2-methoxyethyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(OC)(OCC)OCC
InChIInChI=1S/C11H20O5/c1-6-15-11(13-5,16-7-2)8-14-10(12)9(3)4/h3,6-8H2,1-2,4-5H3
InChIKeyURYWXMHZLSZSNE-UHFFFAOYSA-N
XLogP1.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-diethoxy-2-methoxyethyl) 2-methylprop-2-enoate?
The IUPAC name of (2,2-diethoxy-2-methoxyethyl) 2-methylprop-2-enoate (CID 19792354) is (2,2-diethoxy-2-methoxyethyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,2-diethoxy-2-methoxyethyl) 2-methylprop-2-enoate?
The canonical SMILES for (2,2-diethoxy-2-methoxyethyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(OC)(OCC)OCC.
What is the InChIKey of (2,2-diethoxy-2-methoxyethyl) 2-methylprop-2-enoate?
The InChIKey is URYWXMHZLSZSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-6-15-11(13-5,16-7-2)8-14-10(12)9(3)4/h3,6-8H2,1-2,4-5H3.
What are the key properties of (2,2-diethoxy-2-methoxyethyl) 2-methylprop-2-enoate?
(2,2-diethoxy-2-methoxyethyl) 2-methylprop-2-enoate has a molecular weight of 232.28 g/mol, XLogP of 1.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diethoxy-2-methoxyethyl) 2-methylprop-2-enoate is sourced from PubChem (CID 19792354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).