2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate

C11H22O4Si — CID 154323498

IUPAC2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCC[SiH2]CC(OCC)OCC
InChIInChI=1S/C11H22O4Si/c1-4-10(12)15-7-8-16-9-11(13-5-2)14-6-3/h4,11H,1,5-9,16H2,2-3H3
InChIKeyVVWLSTIYCFHGMY-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.12
Rot. Bonds10

About 2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate

2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate (PubChem CID 154323498) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate
PubChem CID154323498
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCC[SiH2]CC(OCC)OCC
InChIInChI=1S/C11H22O4Si/c1-4-10(12)15-7-8-16-9-11(13-5-2)14-6-3/h4,11H,1,5-9,16H2,2-3H3
InChIKeyVVWLSTIYCFHGMY-UHFFFAOYSA-N
XLogP1.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate
CID 151173811
5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate
CID 154270296
(4,4-diethoxy-3-silylbutyl) prop-2-enoate
CID 174393273
3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate
CID 19016961
[2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate
CID 58203187
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethyl prop-2-enoate;hydroiodide
CID 159738872
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-propan-2-ylsulfanylethyl prop-2-enoate
CID 58422252
ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate?
The IUPAC name of 2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate (CID 154323498) is 2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate?
The canonical SMILES for 2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate is C=CC(=O)OCC[SiH2]CC(OCC)OCC.
What is the InChIKey of 2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate?
The InChIKey is VVWLSTIYCFHGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-4-10(12)15-7-8-16-9-11(13-5-2)14-6-3/h4,11H,1,5-9,16H2,2-3H3.
What are the key properties of 2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate?
2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate has a molecular weight of 246.38 g/mol, XLogP of 1.12, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate is sourced from PubChem (CID 154323498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).