ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate

C17H34O3Si2 — CID 58461626

IUPACethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
SMILESCCOC(=O)CC[C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si2/c1-10-19-16(18)12-11-15(13-14-21(5,6)7)20-22(8,9)17(2,3)4/h15H,10-12H2,1-9H3/t15-/m0/s1
InChIKeyAKWRDRCQENGMCC-HNNXBMFYSA-N
MW342.63 g/mol
LogP4.60
Rot. Bonds6

About ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate

ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate (PubChem CID 58461626) has the molecular formula C17H34O3Si2 and a molecular weight of 342.63 g/mol. Its IUPAC name is ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate.

Molecular Properties

Compound Nameethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
PubChem CID58461626
Molecular FormulaC17H34O3Si2
Molecular Weight342.63 g/mol
Exact Mass342.20
IUPAC Nameethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
SMILESCCOC(=O)CC[C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si2/c1-10-19-16(18)12-11-15(13-14-21(5,6)7)20-22(8,9)17(2,3)4/h15H,10-12H2,1-9H3/t15-/m0/s1
InChIKeyAKWRDRCQENGMCC-HNNXBMFYSA-N
XLogP4.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.63
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate?
The IUPAC name of ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate (CID 58461626) is ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate.
What is the SMILES notation for ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate?
The canonical SMILES for ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate is CCOC(=O)CC[C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate?
The InChIKey is AKWRDRCQENGMCC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H34O3Si2/c1-10-19-16(18)12-11-15(13-14-21(5,6)7)20-22(8,9)17(2,3)4/h15H,10-12H2,1-9H3/t15-/m0/s1.
What are the key properties of ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate?
ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate has a molecular weight of 342.63 g/mol, XLogP of 4.60, 6 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(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate is sourced from PubChem (CID 58461626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).