methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctanoate

C16H34O3Si — CID 132990780

IUPACmethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctanoate
SMILESCCCCC[C@](C)(CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-9-10-11-12-16(5,13-14(17)18-6)19-20(7,8)15(2,3)4/h9-13H2,1-8H3/t16-/m1/s1
InChIKeyIBNKJLDWOQHUJT-MRXNPFEDSA-N
MW302.53 g/mol
LogP4.91
Rot. Bonds8

About methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctanoate

methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctanoate (PubChem CID 132990780) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctanoate
PubChem CID132990780
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctanoate
SMILESCCCCC[C@](C)(CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-9-10-11-12-16(5,13-14(17)18-6)19-20(7,8)15(2,3)4/h9-13H2,1-8H3/t16-/m1/s1
InChIKeyIBNKJLDWOQHUJT-MRXNPFEDSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.91
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

methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477
3-Hydroxy-arachidic, methyl ester, 3-tBDMS ether
CID 526802
Decanoic acid, 2,2-dimethyl-3-[(trimethylsilyl)oxy]-, methyl ester
CID 11109446
4-[Tert-butyl(dimethyl)silyl]peroxy-4-methylicosan-2-one
CID 73029207
(3s,4s)-3-[t-Butyl(dimethyl)siloxy]-4-methyldecanoic acid
CID 129748160
Methyl (S)-3-((tert-butyldimethylsilyl)oxy)-3-cyclohexylbutanoate
CID 132990803
[(3R,4S,5R)-2,4-dimethyl-7-oxo-3-triethylsilyloxynonan-5-yl] acetate
CID 134969676
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid
CID 135016301
Ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate
CID 135070686
tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate
CID 138970754
tert-butyl (4S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptanoate
CID 166448258
Methyl 3-[tert-butyl(dimethyl)silyl]oxyhexadecanoate
CID 526790

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctanoate?
The IUPAC name of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctanoate (CID 132990780) is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctanoate.
What is the SMILES notation for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctanoate?
The canonical SMILES for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctanoate is CCCCC[C@](C)(CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctanoate?
The InChIKey is IBNKJLDWOQHUJT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-9-10-11-12-16(5,13-14(17)18-6)19-20(7,8)15(2,3)4/h9-13H2,1-8H3/t16-/m1/s1.
What are the key properties of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctanoate?
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctanoate has a molecular weight of 302.53 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctanoate is sourced from PubChem (CID 132990780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).