tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate

C15H32O3Si — CID 153315415

IUPACtert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCC[C@@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-10-12(11-13(16)17-14(2,3)4)18-19(8,9)15(5,6)7/h12H,10-11H2,1-9H3/t12-/m0/s1
InChIKeyOPPWEKRKYXTQLI-LBPRGKRZSA-N
MW288.50 g/mol
LogP4.52
Rot. Bonds5

About tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate

tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate (PubChem CID 153315415) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
PubChem CID153315415
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Nametert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCC[C@@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-10-12(11-13(16)17-14(2,3)4)18-19(8,9)15(5,6)7/h12H,10-11H2,1-9H3/t12-/m0/s1
InChIKeyOPPWEKRKYXTQLI-LBPRGKRZSA-N
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.52
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

3-(Tert-butyldimethylsiloxy)glutaric anhydride
CID 4141040
Methyl (R)-3-[(tert-Butyldimethylsilyl)oxy]butanoate
CID 11009839
Butanoic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl ester, (3R)-
CID 12914545
(R)-tert-Butyl ethyl 3-(tert-butyldimethylsiloxy)glutarate
CID 25034097
Ethyl 3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 12914544
propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate
CID 58567250
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 101860943
ethyl (S)-3-t-butyldimethylsilyloxybutanoate
CID 11817463
Diethyl 3-(tert-Butyldimethylsilyloxy)glutarate
CID 13327289
methyl (2R,3R)-2-methyl-3-triethylsilyloxypentanoate
CID 16731925
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate
CID 101516630
Ethyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 101907487

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The IUPAC name of tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate (CID 153315415) is tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate.
What is the SMILES notation for tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The canonical SMILES for tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate is CC[C@@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The InChIKey is OPPWEKRKYXTQLI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-10-12(11-13(16)17-14(2,3)4)18-19(8,9)15(5,6)7/h12H,10-11H2,1-9H3/t12-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate has a molecular weight of 288.50 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate is sourced from PubChem (CID 153315415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).