ethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate

C23H32O3Si — CID 11014491

IUPACethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate
SMILESCCOC(=O)CC[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O3Si/c1-6-25-22(24)18-17-19(2)26-27(23(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19H,6,17-18H2,1-5H3/t19-/m0/s1
InChIKeyXBBQXEFEDUBBSI-IBGZPJMESA-N
MW384.59 g/mol
LogP4.29
Rot. Bonds8

About ethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate

ethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate (PubChem CID 11014491) has the molecular formula C23H32O3Si and a molecular weight of 384.59 g/mol. Its IUPAC name is ethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate.

Molecular Properties

Compound Nameethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate
PubChem CID11014491
Molecular FormulaC23H32O3Si
Molecular Weight384.59 g/mol
Exact Mass384.21
IUPAC Nameethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate
SMILESCCOC(=O)CC[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O3Si/c1-6-25-22(24)18-17-19(2)26-27(23(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19H,6,17-18H2,1-5H3/t19-/m0/s1
InChIKeyXBBQXEFEDUBBSI-IBGZPJMESA-N
XLogP4.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 54.29
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

(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one
CID 11036001
6-[Tert-butyl(diphenyl)silyl]oxyhexan-2-one
CID 15889737
3-((tert-butyldiphenylsilyl)oxy)dihydrofuran-2(3H)-one
CID 357852
(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 10571352
Ethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate
CID 11244867
cis-ethyl (1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-fluorocyclopropane-1-carboxylate
CID 101113638
ethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate
CID 101269308
trans-ethyl (1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-fluorocyclopropane-1-carboxylate
CID 134934274
Ethyl 5-(dimethyl(phenyl)silyl)pentanoate
CID 10061371
(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one
CID 11374293
(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one
CID 11639253
Ethyl 2-[methyl(diphenyl)silyl]decanoate
CID 13225432

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate?
The IUPAC name of ethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate (CID 11014491) is ethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate.
What is the SMILES notation for ethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate?
The canonical SMILES for ethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate is CCOC(=O)CC[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate?
The InChIKey is XBBQXEFEDUBBSI-IBGZPJMESA-N. The full InChI is InChI=1S/C23H32O3Si/c1-6-25-22(24)18-17-19(2)26-27(23(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19H,6,17-18H2,1-5H3/t19-/m0/s1.
What are the key properties of ethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate?
ethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate has a molecular weight of 384.59 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate is sourced from PubChem (CID 11014491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).