ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate

C13H28O3Si — CID 11118818

IUPACethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCCOC(=O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-8-15-12(14)10-9-11(2)16-17(6,7)13(3,4)5/h11H,8-10H2,1-7H3/t11-/m1/s1
InChIKeyINSJJOZAKZMPJL-LLVKDONJSA-N
MW260.45 g/mol
LogP3.74
Rot. Bonds6

About ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate

ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate (PubChem CID 11118818) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate.

Molecular Properties

Compound Nameethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
PubChem CID11118818
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Nameethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCCOC(=O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-8-15-12(14)10-9-11(2)16-17(6,7)13(3,4)5/h11H,8-10H2,1-7H3/t11-/m1/s1
InChIKeyINSJJOZAKZMPJL-LLVKDONJSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 101906521
(5S)-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-2-one
CID 10014094
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoropentanoate
CID 156904132
4-Trimethylsiloxy(trimethylsilyl)valerate
CID 528653
Methyl 4-(((1,1-dimethylethyl)dimethylsilyl)oxy)butanoate
CID 15399104
methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 44232635
[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate
CID 56971428
5-Triethylsilyloxyoxepan-2-one
CID 85775109
methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 139252727
ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 11832609
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 10900943
4-[(Tert-butyldimethylsilyl)oxy]pentanoicacid
CID 10998891

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate?
The IUPAC name of ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate (CID 11118818) is ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate.
What is the SMILES notation for ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate?
The canonical SMILES for ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate is CCOC(=O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate?
The InChIKey is INSJJOZAKZMPJL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-8-15-12(14)10-9-11(2)16-17(6,7)13(3,4)5/h11H,8-10H2,1-7H3/t11-/m1/s1.
What are the key properties of ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate?
ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate has a molecular weight of 260.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate is sourced from PubChem (CID 11118818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).