methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutanoate

C17H34O3Si — CID 132990803

IUPACmethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutanoate
SMILESCOC(=O)C[C@](C)(O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H34O3Si/c1-16(2,3)21(6,7)20-17(4,13-15(18)19-5)14-11-9-8-10-12-14/h14H,8-13H2,1-7H3/t17-/m0/s1
InChIKeySDEINICFOOCKOX-KRWDZBQOSA-N
MW314.54 g/mol
LogP4.91
Rot. Bonds5

About methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutanoate

methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutanoate (PubChem CID 132990803) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutanoate.

Molecular Properties

Compound Namemethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutanoate
PubChem CID132990803
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Namemethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutanoate
SMILESCOC(=O)C[C@](C)(O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H34O3Si/c1-16(2,3)21(6,7)20-17(4,13-15(18)19-5)14-11-9-8-10-12-14/h14H,8-13H2,1-7H3/t17-/m0/s1
InChIKeySDEINICFOOCKOX-KRWDZBQOSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.91
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 (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate
CID 10967187
Methyl 6-cyclohexyl-8-tri(propan-2-yl)silyloct-7-ynoate
CID 102590111
Methyl (R)-3-((tert-butyldimethylsilyl)oxy)-3-cyclohexylbutanoate
CID 132990780
4-Cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one
CID 134838817
tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate
CID 138970754
ethyl (2S,3S)-3-cyclohexyl-2-trimethylsilylpentanoate
CID 145865791
Decanoic acid, 3-hydroxy-4-methyl, TBDMS, #1
CID 91753824
methyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate
CID 11110213
Trimethylsilyl 10-methyl-3-(trimethylsilyloxy)dodecanoate
CID 91719422
Trimethylsilyl 12-methyl-3-(trimethylsilyloxy)tetradecanoate
CID 91736907
Trimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate
CID 91738308
Methyl 11-methyl-3-(trimethylsilyloxy)dodecanoate
CID 91741656

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutanoate?
The IUPAC name of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutanoate (CID 132990803) is methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutanoate.
What is the SMILES notation for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutanoate?
The canonical SMILES for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutanoate is COC(=O)C[C@](C)(O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutanoate?
The InChIKey is SDEINICFOOCKOX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-16(2,3)21(6,7)20-17(4,13-15(18)19-5)14-11-9-8-10-12-14/h14H,8-13H2,1-7H3/t17-/m0/s1.
What are the key properties of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutanoate?
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutanoate has a molecular weight of 314.54 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutanoate is sourced from PubChem (CID 132990803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).