[(3S)-5-hydroxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate

C17H36O4Si — CID 162397929

IUPAC[(3S)-5-hydroxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate
SMILESCC[Si](CC)(CC)O[C@@H](CCO)C(C)COC(=O)C(C)(C)C
InChIInChI=1S/C17H36O4Si/c1-8-22(9-2,10-3)21-15(11-12-18)14(4)13-20-16(19)17(5,6)7/h14-15,18H,8-13H2,1-7H3/t14?,15-/m0/s1
InChIKeyJVJSJFKJKQLVCB-LOACHALJSA-N
MW332.56 g/mol
LogP3.98
Rot. Bonds10

About [(3S)-5-hydroxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate

[(3S)-5-hydroxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate (PubChem CID 162397929) has the molecular formula C17H36O4Si and a molecular weight of 332.56 g/mol. Its IUPAC name is [(3S)-5-hydroxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3S)-5-hydroxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate
PubChem CID162397929
Molecular FormulaC17H36O4Si
Molecular Weight332.56 g/mol
Exact Mass332.24
IUPAC Name[(3S)-5-hydroxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate
SMILESCC[Si](CC)(CC)O[C@@H](CCO)C(C)COC(=O)C(C)(C)C
InChIInChI=1S/C17H36O4Si/c1-8-22(9-2,10-3)21-15(11-12-18)14(4)13-20-16(19)17(5,6)7/h14-15,18H,8-13H2,1-7H3/t14?,15-/m0/s1
InChIKeyJVJSJFKJKQLVCB-LOACHALJSA-N
XLogP3.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 53.98
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

ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132
[(2S,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,4-dimethylhexyl] 2,2-dimethylpropanoate
CID 14061493
ethyl (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 134856614
[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2-methylheptyl] 2,2-dimethylpropanoate
CID 134931595
tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate
CID 135012525
(3R)-3-(Tert-butyldimethylsilyloxy)-5-pivaloyloxypentanol
CID 14811571
[(4S,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6-dimethylhept-2-ynyl] acetate
CID 10336646
[(4S)-4-hydroxy-5-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate
CID 10473709
[(3R,4S,5R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-3,7-dimethoxy-4,8-dimethylnonyl] 2,2-dimethylpropanoate
CID 10504272
[(2S,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate
CID 10521544
[(4S,5R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6-dimethylhept-2-ynyl] 2,2-dimethylpropanoate
CID 10523210
[(4R,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6-dimethylhept-2-ynyl] 2,2-dimethylpropanoate
CID 10642928

Frequently Asked Questions

What is the IUPAC name of [(3S)-5-hydroxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate?
The IUPAC name of [(3S)-5-hydroxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate (CID 162397929) is [(3S)-5-hydroxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3S)-5-hydroxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(3S)-5-hydroxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate is CC[Si](CC)(CC)O[C@@H](CCO)C(C)COC(=O)C(C)(C)C.
What is the InChIKey of [(3S)-5-hydroxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate?
The InChIKey is JVJSJFKJKQLVCB-LOACHALJSA-N. The full InChI is InChI=1S/C17H36O4Si/c1-8-22(9-2,10-3)21-15(11-12-18)14(4)13-20-16(19)17(5,6)7/h14-15,18H,8-13H2,1-7H3/t14?,15-/m0/s1.
What are the key properties of [(3S)-5-hydroxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate?
[(3S)-5-hydroxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate has a molecular weight of 332.56 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-hydroxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 162397929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).