ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate

C12H24O3Si — CID 11276617

IUPACethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C12H24O3Si/c1-8-14-11(13)10(2)9-15-16(6,7)12(3,4)5/h2,8-9H2,1,3-7H3
InChIKeyDDUJRVIRTCOTSL-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.13
Rot. Bonds5

About ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate

ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate (PubChem CID 11276617) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate
PubChem CID11276617
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Nameethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C12H24O3Si/c1-8-14-11(13)10(2)9-15-16(6,7)12(3,4)5/h2,8-9H2,1,3-7H3
InChIKeyDDUJRVIRTCOTSL-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate (CID 11276617) is ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate is C=C(CO[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate?
The InChIKey is DDUJRVIRTCOTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-8-14-11(13)10(2)9-15-16(6,7)12(3,4)5/h2,8-9H2,1,3-7H3.
What are the key properties of ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate?
ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate has a molecular weight of 244.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate is sourced from PubChem (CID 11276617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).