methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate

C14H30O4Si — CID 88853226

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate
SMILESCOC(=O)CC(CC(C)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-11(16-5)9-12(10-13(15)17-6)18-19(7,8)14(2,3)4/h11-12H,9-10H2,1-8H3
InChIKeyZQJVXJWOTKZOPX-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.36
Rot. Bonds7

About methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate

methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate (PubChem CID 88853226) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate
PubChem CID88853226
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate
SMILESCOC(=O)CC(CC(C)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-11(16-5)9-12(10-13(15)17-6)18-19(7,8)14(2,3)4/h11-12H,9-10H2,1-8H3
InChIKeyZQJVXJWOTKZOPX-UHFFFAOYSA-N
XLogP3.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate (CID 88853226) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate is COC(=O)CC(CC(C)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate?
The InChIKey is ZQJVXJWOTKZOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-11(16-5)9-12(10-13(15)17-6)18-19(7,8)14(2,3)4/h11-12H,9-10H2,1-8H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate has a molecular weight of 290.48 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate is sourced from PubChem (CID 88853226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).