methyl 2-[tert-butyl(dimethyl)silyl]oxyoctanoate

C15H32O3Si — CID 11108996

IUPACmethyl 2-[tert-butyl(dimethyl)silyl]oxyoctanoate
SMILESCCCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C15H32O3Si/c1-8-9-10-11-12-13(14(16)17-5)18-19(6,7)15(2,3)4/h13H,8-12H2,1-7H3
InChIKeyQBUURMTYSPYVNJ-UHFFFAOYSA-N
MW288.50 g/mol
LogP4.52
Rot. Bonds8

About methyl 2-[tert-butyl(dimethyl)silyl]oxyoctanoate

methyl 2-[tert-butyl(dimethyl)silyl]oxyoctanoate (PubChem CID 11108996) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is methyl 2-[tert-butyl(dimethyl)silyl]oxyoctanoate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethyl)silyl]oxyoctanoate
PubChem CID11108996
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Namemethyl 2-[tert-butyl(dimethyl)silyl]oxyoctanoate
SMILESCCCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C15H32O3Si/c1-8-9-10-11-12-13(14(16)17-5)18-19(6,7)15(2,3)4/h13H,8-12H2,1-7H3
InChIKeyQBUURMTYSPYVNJ-UHFFFAOYSA-N
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.52
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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Related Compounds

Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524469
Octadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524479
Octadecanoic acid, 12-[(trimethylsilyl)oxy]-, methyl ester
CID 604384
Methyl 15-trimethylsiloxy eicosanoate
CID 129726527
Methyl 18-trimethylsiloxy eicosanoate
CID 129726555
Methyl 12-trimethylsiloxy eicosanoate
CID 129726563
Methyl 8-trimethylsiloxy eicosanoate
CID 129726572
Methyl 17-trimethylsiloxy eicosanoate
CID 129726574
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477
Ethyl 2-[tert-butyl-(1-ethoxy-6,6,7,7,7-pentafluoro-1-oxoheptan-2-yl)-methylsilyl]oxynonanoate
CID 140466624
alpha-Hydroxyarachidic acid, TMSi-Me
CID 524463
Methyl 2-[(trimethylsilyl)oxy]docosanoate
CID 524465

Frequently Asked Questions

What is the IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxyoctanoate?
The IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxyoctanoate (CID 11108996) is methyl 2-[tert-butyl(dimethyl)silyl]oxyoctanoate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethyl)silyl]oxyoctanoate?
The canonical SMILES for methyl 2-[tert-butyl(dimethyl)silyl]oxyoctanoate is CCCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[tert-butyl(dimethyl)silyl]oxyoctanoate?
The InChIKey is QBUURMTYSPYVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-8-9-10-11-12-13(14(16)17-5)18-19(6,7)15(2,3)4/h13H,8-12H2,1-7H3.
What are the key properties of methyl 2-[tert-butyl(dimethyl)silyl]oxyoctanoate?
methyl 2-[tert-butyl(dimethyl)silyl]oxyoctanoate has a molecular weight of 288.50 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[tert-butyl(dimethyl)silyl]oxyoctanoate is sourced from PubChem (CID 11108996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).