3-[tert-butyl(diphenyl)silyl]oxypent-4-enal

C21H26O2Si — CID 85402432

IUPAC3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
SMILESC=CC(CC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26O2Si/c1-5-18(16-17-22)23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h5-15,17-18H,1,16H2,2-4H3
InChIKeyZLOHQGUPDWKZTB-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.71
Rot. Bonds7

About 3-[tert-butyl(diphenyl)silyl]oxypent-4-enal

3-[tert-butyl(diphenyl)silyl]oxypent-4-enal (PubChem CID 85402432) has the molecular formula C21H26O2Si and a molecular weight of 338.52 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxypent-4-enal.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
PubChem CID85402432
Molecular FormulaC21H26O2Si
Molecular Weight338.52 g/mol
Exact Mass338.17
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
SMILESC=CC(CC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26O2Si/c1-5-18(16-17-22)23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h5-15,17-18H,1,16H2,2-4H3
InChIKeyZLOHQGUPDWKZTB-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.71
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4,4,4-trifluorobutanal
CID 91243665
methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-oxohept-6-enoate
CID 171567875
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate
CID 11303215
prop-2-enyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-oxohexanoate
CID 14669635
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane
CID 134833176
tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane
CID 57341570
[(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane
CID 139649655
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
[(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate
CID 11576022
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol
CID 175160919

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxypent-4-enal?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxypent-4-enal (CID 85402432) is 3-[tert-butyl(diphenyl)silyl]oxypent-4-enal.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxypent-4-enal?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxypent-4-enal is C=CC(CC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxypent-4-enal?
The InChIKey is ZLOHQGUPDWKZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2Si/c1-5-18(16-17-22)23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h5-15,17-18H,1,16H2,2-4H3.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxypent-4-enal?
3-[tert-butyl(diphenyl)silyl]oxypent-4-enal has a molecular weight of 338.52 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxypent-4-enal is sourced from PubChem (CID 85402432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).