ethyl 2-[2-[tert-butyl(dimethyl)silyl]ethenylidene]heptanoate

C17H32O2Si — CID 10063180

IUPACethyl 2-[2-[tert-butyl(dimethyl)silyl]ethenylidene]heptanoate
SMILESCCCCCC(=C=C[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C17H32O2Si/c1-8-10-11-12-15(16(18)19-9-2)13-14-20(6,7)17(3,4)5/h14H,8-12H2,1-7H3
InChIKeyRLGUBBQUZVGFIA-UHFFFAOYSA-N
MW296.53 g/mol
LogP5.26
Rot. Bonds7

About ethyl 2-[2-[tert-butyl(dimethyl)silyl]ethenylidene]heptanoate

ethyl 2-[2-[tert-butyl(dimethyl)silyl]ethenylidene]heptanoate (PubChem CID 10063180) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is ethyl 2-[2-[tert-butyl(dimethyl)silyl]ethenylidene]heptanoate.

Molecular Properties

Compound Nameethyl 2-[2-[tert-butyl(dimethyl)silyl]ethenylidene]heptanoate
PubChem CID10063180
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Nameethyl 2-[2-[tert-butyl(dimethyl)silyl]ethenylidene]heptanoate
SMILESCCCCCC(=C=C[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C17H32O2Si/c1-8-10-11-12-15(16(18)19-9-2)13-14-20(6,7)17(3,4)5/h14H,8-12H2,1-7H3
InChIKeyRLGUBBQUZVGFIA-UHFFFAOYSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-[tert-butyl(dimethyl)silyl]ethenylidene]heptanoate?
The IUPAC name of ethyl 2-[2-[tert-butyl(dimethyl)silyl]ethenylidene]heptanoate (CID 10063180) is ethyl 2-[2-[tert-butyl(dimethyl)silyl]ethenylidene]heptanoate.
What is the SMILES notation for ethyl 2-[2-[tert-butyl(dimethyl)silyl]ethenylidene]heptanoate?
The canonical SMILES for ethyl 2-[2-[tert-butyl(dimethyl)silyl]ethenylidene]heptanoate is CCCCCC(=C=C[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-[tert-butyl(dimethyl)silyl]ethenylidene]heptanoate?
The InChIKey is RLGUBBQUZVGFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-8-10-11-12-15(16(18)19-9-2)13-14-20(6,7)17(3,4)5/h14H,8-12H2,1-7H3.
What are the key properties of ethyl 2-[2-[tert-butyl(dimethyl)silyl]ethenylidene]heptanoate?
ethyl 2-[2-[tert-butyl(dimethyl)silyl]ethenylidene]heptanoate has a molecular weight of 296.53 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[tert-butyl(dimethyl)silyl]ethenylidene]heptanoate is sourced from PubChem (CID 10063180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).