methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate

C13H28O3Si — CID 608938

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
SMILESCOC(=O)CC(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C13H28O3Si/c1-10(2)11(9-12(14)15-6)16-17(7,8)13(3,4)5/h10-11H,9H2,1-8H3
InChIKeyHCTKXYDCYQRAHK-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.60
Rot. Bonds5

About methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate

methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate (PubChem CID 608938) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
PubChem CID608938
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
SMILESCOC(=O)CC(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C13H28O3Si/c1-10(2)11(9-12(14)15-6)16-17(7,8)13(3,4)5/h10-11H,9H2,1-8H3
InChIKeyHCTKXYDCYQRAHK-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.60
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

Methyl (R)-3-[(tert-Butyldimethylsilyl)oxy]butanoate
CID 11009839
Methyl 2-methyl-3-[(trimethylsilyl)oxy]cyclopropane-1-carboxylate
CID 11447018
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 10868598
ethyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 101906521
Methyl 2,2,4-trimethyl-3-trimethylsiloxyvalerate
CID 14763594
propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate
CID 58567250
2-Propyl-3-hydroxypentanoic acid, diTMS
CID 523703
Trimethylsilyl 2-methyl-3-[(trimethylsilyl)oxy]pentanoate
CID 528643
2-Methylbutanoic acid, 3-(t-butyldimethylsilyloxy)-, methyl ester
CID 560751
(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one
CID 10083872
[(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 10882872
methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate
CID 10938013

Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate (CID 608938) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate is COC(=O)CC(O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
The InChIKey is HCTKXYDCYQRAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-10(2)11(9-12(14)15-6)16-17(7,8)13(3,4)5/h10-11H,9H2,1-8H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate has a molecular weight of 260.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate is sourced from PubChem (CID 608938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).