methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate

C13H28O3Si — CID 11139869

IUPACmethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate
SMILESCOC(=O)CCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-11(9-8-10-12(14)15-5)16-17(6,7)13(2,3)4/h11H,8-10H2,1-7H3/t11-/m0/s1
InChIKeyFHJFAPXMOOQKQI-NSHDSACASA-N
MW260.45 g/mol
LogP3.74
Rot. Bonds6

About methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate

methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate (PubChem CID 11139869) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate.

Molecular Properties

Compound Namemethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate
PubChem CID11139869
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Namemethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate
SMILESCOC(=O)CCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-11(9-8-10-12(14)15-5)16-17(6,7)13(2,3)4/h11H,8-10H2,1-7H3/t11-/m0/s1
InChIKeyFHJFAPXMOOQKQI-NSHDSACASA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.74
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

5-((Tert-butyldimethylsilyl)oxy)hexanoic acid
CID 123255894
5-Hydroxyhexanoic acid diTMS
CID 526007
Methyl 2-oxo-5-triethylsilyloxyhexanoate
CID 11334833
5-Triethylsilyloxy-epsilon-caprolactone
CID 129835249
(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one
CID 134892692
Methyl (3R,5S)-5-((tert-butyldimethylsilyl)oxy)-3-hydroxyhexanoate
CID 164888887
Methyl (3S,5S)-5-((tert-butyldimethylsilyl)oxy)-3-hydroxyhexanoate
CID 164888888
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate
CID 166449043
Methyl 5-([tert-butyl(dimethyl)silyl]oxy)-4-methylhexanoate
CID 553326
Hexanoic acid, 5-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester
CID 598628
tert-butyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyheptanoate
CID 10903191
Ethyl 5-methyl-5-trimethylsilyloxyhexanoate
CID 22214162

Frequently Asked Questions

What is the IUPAC name of methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The IUPAC name of methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate (CID 11139869) is methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate.
What is the SMILES notation for methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The canonical SMILES for methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate is COC(=O)CCC[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The InChIKey is FHJFAPXMOOQKQI-NSHDSACASA-N. The full InChI is InChI=1S/C13H28O3Si/c1-11(9-8-10-12(14)15-5)16-17(6,7)13(2,3)4/h11H,8-10H2,1-7H3/t11-/m0/s1.
What are the key properties of methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate?
methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate has a molecular weight of 260.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate is sourced from PubChem (CID 11139869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).