ethyl (2E)-2-[[tert-butyl(dimethyl)silyl]methylidene]hexanoate

C15H30O2Si — CID 10265179

IUPACethyl (2E)-2-[[tert-butyl(dimethyl)silyl]methylidene]hexanoate
SMILESCCCC/C(=C\[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C15H30O2Si/c1-8-10-11-13(14(16)17-9-2)12-18(6,7)15(3,4)5/h12H,8-11H2,1-7H3/b13-12+
InChIKeyPLEQOGKHNRTSBH-OUKQBFOZSA-N
MW270.49 g/mol
LogP4.71
Rot. Bonds6

About ethyl (2E)-2-[[tert-butyl(dimethyl)silyl]methylidene]hexanoate

ethyl (2E)-2-[[tert-butyl(dimethyl)silyl]methylidene]hexanoate (PubChem CID 10265179) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is ethyl (2E)-2-[[tert-butyl(dimethyl)silyl]methylidene]hexanoate.

Molecular Properties

Compound Nameethyl (2E)-2-[[tert-butyl(dimethyl)silyl]methylidene]hexanoate
PubChem CID10265179
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Nameethyl (2E)-2-[[tert-butyl(dimethyl)silyl]methylidene]hexanoate
SMILESCCCC/C(=C\[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C15H30O2Si/c1-8-10-11-13(14(16)17-9-2)12-18(6,7)15(3,4)5/h12H,8-11H2,1-7H3/b13-12+
InChIKeyPLEQOGKHNRTSBH-OUKQBFOZSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2E)-2-[[tert-butyl(dimethyl)silyl]methylidene]hexanoate?
The IUPAC name of ethyl (2E)-2-[[tert-butyl(dimethyl)silyl]methylidene]hexanoate (CID 10265179) is ethyl (2E)-2-[[tert-butyl(dimethyl)silyl]methylidene]hexanoate.
What is the SMILES notation for ethyl (2E)-2-[[tert-butyl(dimethyl)silyl]methylidene]hexanoate?
The canonical SMILES for ethyl (2E)-2-[[tert-butyl(dimethyl)silyl]methylidene]hexanoate is CCCC/C(=C\[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl (2E)-2-[[tert-butyl(dimethyl)silyl]methylidene]hexanoate?
The InChIKey is PLEQOGKHNRTSBH-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-8-10-11-13(14(16)17-9-2)12-18(6,7)15(3,4)5/h12H,8-11H2,1-7H3/b13-12+.
What are the key properties of ethyl (2E)-2-[[tert-butyl(dimethyl)silyl]methylidene]hexanoate?
ethyl (2E)-2-[[tert-butyl(dimethyl)silyl]methylidene]hexanoate has a molecular weight of 270.49 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[[tert-butyl(dimethyl)silyl]methylidene]hexanoate is sourced from PubChem (CID 10265179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).