methyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate

C14H30O3Si — CID 553326

IUPACmethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
SMILESCOC(=O)CCC(C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-11(9-10-13(15)16-6)12(2)17-18(7,8)14(3,4)5/h11-12H,9-10H2,1-8H3
InChIKeyYNBMGYBTDCYVBO-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.99
Rot. Bonds6

About methyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate

methyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate (PubChem CID 553326) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is methyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
PubChem CID553326
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
SMILESCOC(=O)CCC(C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-11(9-10-13(15)16-6)12(2)17-18(7,8)14(3,4)5/h11-12H,9-10H2,1-8H3
InChIKeyYNBMGYBTDCYVBO-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylate
CID 23144129
(1S,3S,4S)-ethyl 3-(tert-butyldimethylsilyloxy)-4-fluorocyclopentanecarboxylate
CID 86626207
Methyl trans-4-[(tert-butyldimethylsilyl)oxy]cyclohexanecarboxylate
CID 22167752
Methyl cis-4-[(trimethylsilyl)oxy]cyclohexanecarboxylate
CID 89469074
methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 140518568
ethyl (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate
CID 56591110
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid
CID 134892483
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate
CID 10708379
Ethyl 5-methyl-5-trimethylsilyloxyhexanoate
CID 22214162
Methyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate
CID 85256432
Methyl 5-methyl-5-trimethylsilyloxyhexanoate
CID 101662190
Methyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate
CID 10516228

Frequently Asked Questions

What is the IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate?
The IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate (CID 553326) is methyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate.
What is the SMILES notation for methyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate?
The canonical SMILES for methyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate is COC(=O)CCC(C)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate?
The InChIKey is YNBMGYBTDCYVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-11(9-10-13(15)16-6)12(2)17-18(7,8)14(3,4)5/h11-12H,9-10H2,1-8H3.
What are the key properties of methyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate?
methyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate has a molecular weight of 274.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate is sourced from PubChem (CID 553326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).