2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one

C19H40O4Si2 — CID 91112751

IUPAC2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one
SMILESCC(=O)/C=C/CO[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OCC=O
InChIInChI=1S/C11H22O2Si.C8H18O2Si/c1-10(12)8-7-9-13-14(5,6)11(2,3)4;1-8(2,3)11(4,5)10-7-6-9/h7-8H,9H2,1-6H3;6H,7H2,1-5H3/b8-7+;
InChIKeyLMQRMMOIFUAGSP-USRGLUTNSA-N
MW388.70 g/mol
LogP5.36
Rot. Bonds7

About 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one

2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one (PubChem CID 91112751) has the molecular formula C19H40O4Si2 and a molecular weight of 388.70 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one
PubChem CID91112751
Molecular FormulaC19H40O4Si2
Molecular Weight388.70 g/mol
Exact Mass388.25
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one
SMILESCC(=O)/C=C/CO[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OCC=O
InChIInChI=1S/C11H22O2Si.C8H18O2Si/c1-10(12)8-7-9-13-14(5,6)11(2,3)4;1-8(2,3)11(4,5)10-7-6-9/h7-8H,9H2,1-6H3;6H,7H2,1-5H3/b8-7+;
InChIKeyLMQRMMOIFUAGSP-USRGLUTNSA-N
XLogP5.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.70
LogP ≤ 55.36
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one (CID 91112751) is 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one is CC(=O)/C=C/CO[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OCC=O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one?
The InChIKey is LMQRMMOIFUAGSP-USRGLUTNSA-N. The full InChI is InChI=1S/C11H22O2Si.C8H18O2Si/c1-10(12)8-7-9-13-14(5,6)11(2,3)4;1-8(2,3)11(4,5)10-7-6-9/h7-8H,9H2,1-6H3;6H,7H2,1-5H3/b8-7+;.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one?
2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one has a molecular weight of 388.70 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one is sourced from PubChem (CID 91112751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).