(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-2-enal

C16H32O2Si — CID 58139575

IUPAC(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-2-enal
SMILESCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(\C)C=O
InChIInChI=1S/C16H32O2Si/c1-9-10-15(14(3)11-13(2)12-17)18-19(7,8)16(4,5)6/h11-12,14-15H,9-10H2,1-8H3/b13-11+/t14-,15-/m0/s1
InChIKeyIQRRMMPMJLXWTM-CYAURGIBSA-N
MW284.52 g/mol
LogP4.96
Rot. Bonds7

About (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-2-enal

(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-2-enal (PubChem CID 58139575) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-2-enal.

Molecular Properties

Compound Name(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-2-enal
PubChem CID58139575
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-2-enal
SMILESCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(\C)C=O
InChIInChI=1S/C16H32O2Si/c1-9-10-15(14(3)11-13(2)12-17)18-19(7,8)16(4,5)6/h11-12,14-15H,9-10H2,1-8H3/b13-11+/t14-,15-/m0/s1
InChIKeyIQRRMMPMJLXWTM-CYAURGIBSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.96
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-2-enal?
The IUPAC name of (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-2-enal (CID 58139575) is (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-2-enal.
What is the SMILES notation for (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-2-enal?
The canonical SMILES for (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-2-enal is CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(\C)C=O.
What is the InChIKey of (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-2-enal?
The InChIKey is IQRRMMPMJLXWTM-CYAURGIBSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-9-10-15(14(3)11-13(2)12-17)18-19(7,8)16(4,5)6/h11-12,14-15H,9-10H2,1-8H3/b13-11+/t14-,15-/m0/s1.
What are the key properties of (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-2-enal?
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-2-enal has a molecular weight of 284.52 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-2-enal is sourced from PubChem (CID 58139575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).