(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal

C17H36O3Si2 — CID 102422324

IUPAC(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si2/c1-12-14(19-21(8,9)16(2,3)4)15(13-18)20-22(10,11)17(5,6)7/h12-15H,1H2,2-11H3/t14-,15-/m1/s1
InChIKeySRYAVFVTEREJHD-HUUCEWRRSA-N
MW344.64 g/mol
LogP5.15
Rot. Bonds7

About (2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal

(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal (PubChem CID 102422324) has the molecular formula C17H36O3Si2 and a molecular weight of 344.64 g/mol. Its IUPAC name is (2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal.

Molecular Properties

Compound Name(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal
PubChem CID102422324
Molecular FormulaC17H36O3Si2
Molecular Weight344.64 g/mol
Exact Mass344.22
IUPAC Name(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si2/c1-12-14(19-21(8,9)16(2,3)4)15(13-18)20-22(10,11)17(5,6)7/h12-15H,1H2,2-11H3/t14-,15-/m1/s1
InChIKeySRYAVFVTEREJHD-HUUCEWRRSA-N
XLogP5.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.64
LogP ≤ 55.15
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 (2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal?
The IUPAC name of (2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal (CID 102422324) is (2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal.
What is the SMILES notation for (2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal?
The canonical SMILES for (2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal?
The InChIKey is SRYAVFVTEREJHD-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H36O3Si2/c1-12-14(19-21(8,9)16(2,3)4)15(13-18)20-22(10,11)17(5,6)7/h12-15H,1H2,2-11H3/t14-,15-/m1/s1.
What are the key properties of (2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal?
(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal has a molecular weight of 344.64 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal is sourced from PubChem (CID 102422324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).