(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enal

C17H34O3Si — CID 89187754

IUPAC(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enal
SMILESC=C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC(C)C=O
InChIInChI=1S/C17H34O3Si/c1-10-15(19-7)16(14(3)11-13(2)12-18)20-21(8,9)17(4,5)6/h10,12-16H,1,11H2,2-9H3/t13?,14-,15+,16+/m1/s1
InChIKeyFATCDZUOBBOSLV-BSLWCIKASA-N
MW314.54 g/mol
LogP4.44
Rot. Bonds9

About (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enal

(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enal (PubChem CID 89187754) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enal.

Molecular Properties

Compound Name(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enal
PubChem CID89187754
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enal
SMILESC=C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC(C)C=O
InChIInChI=1S/C17H34O3Si/c1-10-15(19-7)16(14(3)11-13(2)12-18)20-21(8,9)17(4,5)6/h10,12-16H,1,11H2,2-9H3/t13?,14-,15+,16+/m1/s1
InChIKeyFATCDZUOBBOSLV-BSLWCIKASA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enal?
The IUPAC name of (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enal (CID 89187754) is (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enal.
What is the SMILES notation for (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enal?
The canonical SMILES for (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enal is C=C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC(C)C=O.
What is the InChIKey of (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enal?
The InChIKey is FATCDZUOBBOSLV-BSLWCIKASA-N. The full InChI is InChI=1S/C17H34O3Si/c1-10-15(19-7)16(14(3)11-13(2)12-18)20-21(8,9)17(4,5)6/h10,12-16H,1,11H2,2-9H3/t13?,14-,15+,16+/m1/s1.
What are the key properties of (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enal?
(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enal has a molecular weight of 314.54 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enal is sourced from PubChem (CID 89187754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).