benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate

C19H32O4Si — CID 156621112

IUPACbenzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate
SMILESCC(O)(CCO[Si](C)(C)C(C)(C)C)CC(=O)OCc1ccccc1
InChIInChI=1S/C19H32O4Si/c1-18(2,3)24(5,6)23-13-12-19(4,21)14-17(20)22-15-16-10-8-7-9-11-16/h7-11,21H,12-15H2,1-6H3
InChIKeyQTJBWAOCMULFMY-UHFFFAOYSA-N
MW352.55 g/mol
LogP4.28
Rot. Bonds8

About benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate

benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate (PubChem CID 156621112) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate.

Molecular Properties

Compound Namebenzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate
PubChem CID156621112
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Namebenzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate
SMILESCC(O)(CCO[Si](C)(C)C(C)(C)C)CC(=O)OCc1ccccc1
InChIInChI=1S/C19H32O4Si/c1-18(2,3)24(5,6)23-13-12-19(4,21)14-17(20)22-15-16-10-8-7-9-11-16/h7-11,21H,12-15H2,1-6H3
InChIKeyQTJBWAOCMULFMY-UHFFFAOYSA-N
XLogP4.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619
benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate
CID 142754448
benzyl (3S)-4-bromo-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 141383140
benzyl 3,3,4-trimethylpentanoate
CID 162413973
benzyl 4-amino-3,3-dimethyl-4-oxobutanoate
CID 160826290
benzyl 3,3-dimethoxybutanoate
CID 134185532
ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate
CID 155931906
benzyl 3,3-dimethylhept-6-enoate
CID 158520959
(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one
CID 102367475
benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate
CID 175899923
benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate
CID 46179798
phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate
CID 10971723

Frequently Asked Questions

What is the IUPAC name of benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate?
The IUPAC name of benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate (CID 156621112) is benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate.
What is the SMILES notation for benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate?
The canonical SMILES for benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate is CC(O)(CCO[Si](C)(C)C(C)(C)C)CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate?
The InChIKey is QTJBWAOCMULFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-18(2,3)24(5,6)23-13-12-19(4,21)14-17(20)22-15-16-10-8-7-9-11-16/h7-11,21H,12-15H2,1-6H3.
What are the key properties of benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate?
benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate has a molecular weight of 352.55 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate is sourced from PubChem (CID 156621112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).