ethyl 2-[tert-butyl(dimethyl)silyl]oxyhexanoate

C14H30O3Si — CID 57438620

IUPACethyl 2-[tert-butyl(dimethyl)silyl]oxyhexanoate
SMILESCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H30O3Si/c1-8-10-11-12(13(15)16-9-2)17-18(6,7)14(3,4)5/h12H,8-11H2,1-7H3
InChIKeyKKDWATMXHCCSOX-UHFFFAOYSA-N
MW274.48 g/mol
LogP4.13
Rot. Bonds7

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

ethyl 2-[tert-butyl(dimethyl)silyl]oxyhexanoate (PubChem CID 57438620) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(dimethyl)silyl]oxyhexanoate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(dimethyl)silyl]oxyhexanoate
PubChem CID57438620
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Nameethyl 2-[tert-butyl(dimethyl)silyl]oxyhexanoate
SMILESCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H30O3Si/c1-8-10-11-12(13(15)16-9-2)17-18(6,7)14(3,4)5/h12H,8-11H2,1-7H3
InChIKeyKKDWATMXHCCSOX-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxyhexanoate (CID 57438620) is ethyl 2-[tert-butyl(dimethyl)silyl]oxyhexanoate.
What is the SMILES notation for ethyl 2-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The canonical SMILES for ethyl 2-[tert-butyl(dimethyl)silyl]oxyhexanoate is CCCCC(O[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The InChIKey is KKDWATMXHCCSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-8-10-11-12(13(15)16-9-2)17-18(6,7)14(3,4)5/h12H,8-11H2,1-7H3.
What are the key properties of ethyl 2-[tert-butyl(dimethyl)silyl]oxyhexanoate?
ethyl 2-[tert-butyl(dimethyl)silyl]oxyhexanoate has a molecular weight of 274.48 g/mol, XLogP of 4.13, 7 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]oxyhexanoate is sourced from PubChem (CID 57438620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).