(2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilylpent-4-ynal

C17H34O2Si2 — CID 71424877

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilylpent-4-ynal
SMILESCC[Si](C#CC[C@@H](C=O)O[Si](C)(C)C(C)(C)C)(CC)CC
InChIInChI=1S/C17H34O2Si2/c1-9-21(10-2,11-3)14-12-13-16(15-18)19-20(7,8)17(4,5)6/h15-16H,9-11,13H2,1-8H3/t16-/m0/s1
InChIKeyQGBVTFURXXAFIW-INIZCTEOSA-N
MW326.63 g/mol
LogP5.02
Rot. Bonds7

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilylpent-4-ynal

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilylpent-4-ynal (PubChem CID 71424877) has the molecular formula C17H34O2Si2 and a molecular weight of 326.63 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilylpent-4-ynal.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilylpent-4-ynal
PubChem CID71424877
Molecular FormulaC17H34O2Si2
Molecular Weight326.63 g/mol
Exact Mass326.21
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilylpent-4-ynal
SMILESCC[Si](C#CC[C@@H](C=O)O[Si](C)(C)C(C)(C)C)(CC)CC
InChIInChI=1S/C17H34O2Si2/c1-9-21(10-2,11-3)14-12-13-16(15-18)19-20(7,8)17(4,5)6/h15-16H,9-11,13H2,1-8H3/t16-/m0/s1
InChIKeyQGBVTFURXXAFIW-INIZCTEOSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.63
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilylpent-4-ynal?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilylpent-4-ynal (CID 71424877) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilylpent-4-ynal.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilylpent-4-ynal?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilylpent-4-ynal is CC[Si](C#CC[C@@H](C=O)O[Si](C)(C)C(C)(C)C)(CC)CC.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilylpent-4-ynal?
The InChIKey is QGBVTFURXXAFIW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H34O2Si2/c1-9-21(10-2,11-3)14-12-13-16(15-18)19-20(7,8)17(4,5)6/h15-16H,9-11,13H2,1-8H3/t16-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilylpent-4-ynal?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilylpent-4-ynal has a molecular weight of 326.63 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilylpent-4-ynal is sourced from PubChem (CID 71424877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).