ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate

C14H30O3Si — CID 11832609

IUPACethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
SMILESCCOC(=O)C[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-9-16-13(15)10-11(2)12(3)17-18(7,8)14(4,5)6/h11-12H,9-10H2,1-8H3/t11-,12+/m1/s1
InChIKeyCWEXAFSUAKLNQB-NEPJUHHUSA-N
MW274.48 g/mol
LogP3.99
Rot. Bonds6

About ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate

ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate (PubChem CID 11832609) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate.

Molecular Properties

Compound Nameethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
PubChem CID11832609
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Nameethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
SMILESCCOC(=O)C[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-9-16-13(15)10-11(2)12(3)17-18(7,8)14(4,5)6/h11-12H,9-10H2,1-8H3/t11-,12+/m1/s1
InChIKeyCWEXAFSUAKLNQB-NEPJUHHUSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.99
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

ethyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 101906521
ethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate
CID 154722513
2,3-Dideoxy-3-C-methyl-5-O-tert-butyldimethylsilyl-D-erythro-pentono-1,4-lactone
CID 102292925
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoropentanoate
CID 156904132
ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11118818
methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 44232635
methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 139252727
Ethyl 3-ethyl-2-trimethylsilylpentanoate
CID 145865785
Ethyl 3-methyl-2-trimethylsilylpentanoate
CID 145865786
Ethyl 3-ethyl-2-triethylsilylpentanoate
CID 145865788
4-Hydroxy-2-methylpentanoic acid, bis-TMS
CID 14440990
Butanoic acid, 2-ethyl-3-(triethylsilyloxy)-, ethyl ester
CID 568637

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
The IUPAC name of ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate (CID 11832609) is ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate.
What is the SMILES notation for ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
The canonical SMILES for ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate is CCOC(=O)C[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
The InChIKey is CWEXAFSUAKLNQB-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-9-16-13(15)10-11(2)12(3)17-18(7,8)14(4,5)6/h11-12H,9-10H2,1-8H3/t11-,12+/m1/s1.
What are the key properties of ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate has a molecular weight of 274.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate is sourced from PubChem (CID 11832609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).