ethyl 6-[tert-butyl(dimethyl)silyl]oxyhexanoate

C14H30O3Si — CID 125473289

IUPACethyl 6-[tert-butyl(dimethyl)silyl]oxyhexanoate
SMILESCCOC(=O)CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-7-16-13(15)11-9-8-10-12-17-18(5,6)14(2,3)4/h7-12H2,1-6H3
InChIKeyQTWFWAMZIXNHRD-UHFFFAOYSA-N
MW274.48 g/mol
LogP4.13
Rot. Bonds8

About ethyl 6-[tert-butyl(dimethyl)silyl]oxyhexanoate

ethyl 6-[tert-butyl(dimethyl)silyl]oxyhexanoate (PubChem CID 125473289) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is ethyl 6-[tert-butyl(dimethyl)silyl]oxyhexanoate.

Molecular Properties

Compound Nameethyl 6-[tert-butyl(dimethyl)silyl]oxyhexanoate
PubChem CID125473289
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Nameethyl 6-[tert-butyl(dimethyl)silyl]oxyhexanoate
SMILESCCOC(=O)CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-7-16-13(15)11-9-8-10-12-17-18(5,6)14(2,3)4/h7-12H2,1-6H3
InChIKeyQTWFWAMZIXNHRD-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxyhexanoate (CID 125473289) is ethyl 6-[tert-butyl(dimethyl)silyl]oxyhexanoate.
What is the SMILES notation for ethyl 6-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The canonical SMILES for ethyl 6-[tert-butyl(dimethyl)silyl]oxyhexanoate is CCOC(=O)CCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 6-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The InChIKey is QTWFWAMZIXNHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-7-16-13(15)11-9-8-10-12-17-18(5,6)14(2,3)4/h7-12H2,1-6H3.
What are the key properties of ethyl 6-[tert-butyl(dimethyl)silyl]oxyhexanoate?
ethyl 6-[tert-butyl(dimethyl)silyl]oxyhexanoate has a molecular weight of 274.48 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[tert-butyl(dimethyl)silyl]oxyhexanoate is sourced from PubChem (CID 125473289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).