(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal

C12H24O2Si — CID 5371565

IUPAC(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
SMILESCC(C/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h7-8,10-11H,9H2,1-6H3/b8-7+
InChIKeyHCRBMTNGFLAYNY-BQYQJAHWSA-N
MW228.41 g/mol
LogP3.54
Rot. Bonds5

About (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal

(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal (PubChem CID 5371565) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal.

Molecular Properties

Compound Name(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
PubChem CID5371565
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
SMILESCC(C/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h7-8,10-11H,9H2,1-6H3/b8-7+
InChIKeyHCRBMTNGFLAYNY-BQYQJAHWSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.54
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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Related Compounds

(2E)-5-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal
CID 101352532
tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane
CID 54066938
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 71354514
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 11149233
7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyltetradeca-2,4,10,12-tetraenal
CID 175929662
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 102285060
(E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal
CID 101391066
(R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide
CID 150420736
(2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde
CID 11746885
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
tert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium
CID 175131930
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11310746

Frequently Asked Questions

What is the IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal?
The IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal (CID 5371565) is (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal.
What is the SMILES notation for (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal?
The canonical SMILES for (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal is CC(C/C=C/C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal?
The InChIKey is HCRBMTNGFLAYNY-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h7-8,10-11H,9H2,1-6H3/b8-7+.
What are the key properties of (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal?
(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal has a molecular weight of 228.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal is sourced from PubChem (CID 5371565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).