methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate

C13H28O3Si — CID 16756101

IUPACmethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-10(2)9-11(12(14)15-6)16-17(7,8)13(3,4)5/h10-11H,9H2,1-8H3/t11-/m0/s1
InChIKeyDHKPERCQHSAJHL-NSHDSACASA-N
MW260.45 g/mol
LogP3.60
Rot. Bonds5

About methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate

methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate (PubChem CID 16756101) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
PubChem CID16756101
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-10(2)9-11(12(14)15-6)16-17(7,8)13(3,4)5/h10-11H,9H2,1-8H3/t11-/m0/s1
InChIKeyDHKPERCQHSAJHL-NSHDSACASA-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

tert-Butyl(dimethyl)silyl 2-([tert-butyl(dimethyl)silyl]oxy)-4-methylpentanoate
CID 553056
ethyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 101906521
[tert-butyl(dimethyl)silyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11175848
Trimethylsilyl 4-methyl-2-[(trimethylsilyl)oxy]pentanoate
CID 521553
Trimethylsilyl 3-methyl-2-[(trimethylsilyl)oxy]pentanoate
CID 528641
Butanoic acid, 3,3-dimethyl-2-[(dimethyl-tert-butylsilyl)oxy]-, methyl ester
CID 608937
methyl (2R,3R)-2-methyl-3-triethylsilyloxypentanoate
CID 16731925
trans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate
CID 134894689
Pentanoic acid, 2-hydroxy-3-methyl, TBDMS
CID 91753829
Pentanoic acid, 4-methyl-3-(t-butyldimethylsilyloxy)-, methyl ester
CID 608938
methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate
CID 21604458
Methyl 1-((tert-butyldimethylsilyl)oxy)cyclopropanecarboxylate
CID 11128611

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
The IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate (CID 16756101) is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
The canonical SMILES for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate is COC(=O)[C@H](CC(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
The InChIKey is DHKPERCQHSAJHL-NSHDSACASA-N. The full InChI is InChI=1S/C13H28O3Si/c1-10(2)9-11(12(14)15-6)16-17(7,8)13(3,4)5/h10-11H,9H2,1-8H3/t11-/m0/s1.
What are the key properties of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
methyl (2S)-2-[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 (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate is sourced from PubChem (CID 16756101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).