(3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-triethylsilyloxy-5-trimethylsilyloxyhexanal

C23H50O4Si3 — CID 101395985

IUPAC(3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-triethylsilyloxy-5-trimethylsilyloxyhexanal
SMILESCC[Si](CC)(CC)OC[C@@H](C/C(=C\CO[Si](C)(C)C(C)(C)C)CC=O)O[Si](C)(C)C
InChIInChI=1S/C23H50O4Si3/c1-12-30(13-2,14-3)26-20-22(27-28(7,8)9)19-21(15-17-24)16-18-25-29(10,11)23(4,5)6/h16-17,22H,12-15,18-20H2,1-11H3/b21-16-/t22-/m1/s1
InChIKeyZLFMDSJZFVQZLA-CSMMYAOASA-N
MW474.91 g/mol
LogP7.16
Rot. Bonds15

About (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-triethylsilyloxy-5-trimethylsilyloxyhexanal

(3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-triethylsilyloxy-5-trimethylsilyloxyhexanal (PubChem CID 101395985) has the molecular formula C23H50O4Si3 and a molecular weight of 474.91 g/mol. Its IUPAC name is (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-triethylsilyloxy-5-trimethylsilyloxyhexanal.

Molecular Properties

Compound Name(3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-triethylsilyloxy-5-trimethylsilyloxyhexanal
PubChem CID101395985
Molecular FormulaC23H50O4Si3
Molecular Weight474.91 g/mol
Exact Mass474.30
IUPAC Name(3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-triethylsilyloxy-5-trimethylsilyloxyhexanal
SMILESCC[Si](CC)(CC)OC[C@@H](C/C(=C\CO[Si](C)(C)C(C)(C)C)CC=O)O[Si](C)(C)C
InChIInChI=1S/C23H50O4Si3/c1-12-30(13-2,14-3)26-20-22(27-28(7,8)9)19-21(15-17-24)16-18-25-29(10,11)23(4,5)6/h16-17,22H,12-15,18-20H2,1-11H3/b21-16-/t22-/m1/s1
InChIKeyZLFMDSJZFVQZLA-CSMMYAOASA-N
XLogP7.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.91
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,5S)-2,7-dimethyl-3,5-bis(triethylsilyloxy)oct-6-enal
CID 10916689
(Z,3R,5S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyl-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enal
CID 11203085
(5S,6E,8Z,11Z,14Z,16E,18R)-5,18-bis[[tert-butyl(dimethyl)silyl]oxy]icosa-6,8,11,14,16-pentaenal
CID 101492998
(4R,5R,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7,11-dimethyldodeca-6,10-dienal
CID 102088558
(E,2S,4R,8R,9R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,8-trimethylundec-6-enal
CID 177865894

Frequently Asked Questions

What is the IUPAC name of (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-triethylsilyloxy-5-trimethylsilyloxyhexanal?
The IUPAC name of (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-triethylsilyloxy-5-trimethylsilyloxyhexanal (CID 101395985) is (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-triethylsilyloxy-5-trimethylsilyloxyhexanal.
What is the SMILES notation for (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-triethylsilyloxy-5-trimethylsilyloxyhexanal?
The canonical SMILES for (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-triethylsilyloxy-5-trimethylsilyloxyhexanal is CC[Si](CC)(CC)OC[C@@H](C/C(=C\CO[Si](C)(C)C(C)(C)C)CC=O)O[Si](C)(C)C.
What is the InChIKey of (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-triethylsilyloxy-5-trimethylsilyloxyhexanal?
The InChIKey is ZLFMDSJZFVQZLA-CSMMYAOASA-N. The full InChI is InChI=1S/C23H50O4Si3/c1-12-30(13-2,14-3)26-20-22(27-28(7,8)9)19-21(15-17-24)16-18-25-29(10,11)23(4,5)6/h16-17,22H,12-15,18-20H2,1-11H3/b21-16-/t22-/m1/s1.
What are the key properties of (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-triethylsilyloxy-5-trimethylsilyloxyhexanal?
(3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-triethylsilyloxy-5-trimethylsilyloxyhexanal has a molecular weight of 474.91 g/mol, XLogP of 7.16, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-triethylsilyloxy-5-trimethylsilyloxyhexanal is sourced from PubChem (CID 101395985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).