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

C17H36O3Si2 — CID 10360165

IUPAC(2R,3S)-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-/m0/s1
InChIKeySRYAVFVTEREJHD-GJZGRUSLSA-N
MW344.64 g/mol
LogP5.15
Rot. Bonds7

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

(2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal (PubChem CID 10360165) has the molecular formula C17H36O3Si2 and a molecular weight of 344.64 g/mol. Its IUPAC name is (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal.

Molecular Properties

Compound Name(2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal
PubChem CID10360165
Molecular FormulaC17H36O3Si2
Molecular Weight344.64 g/mol
Exact Mass344.22
IUPAC Name(2R,3S)-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-/m0/s1
InChIKeySRYAVFVTEREJHD-GJZGRUSLSA-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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Related Compounds

(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal
CID 23584109
(Z,2R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal
CID 10904450
(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal
CID 11961736
(E)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-enal
CID 138968872
(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal
CID 10970756
3-[(Tert-butyldimethylsilyl)oxy]pent-4-enal
CID 17795828
2-[Tert-butyl(dimethyl)silyl]oxypent-4-enal
CID 21585743
(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal
CID 101903967
(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enal
CID 10810922
(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enal
CID 11241365
(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enal
CID 11397969
(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal
CID 11450792

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal?
The IUPAC name of (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal (CID 10360165) is (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal.
What is the SMILES notation for (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal?
The canonical SMILES for (2R,3S)-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 (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal?
The InChIKey is SRYAVFVTEREJHD-GJZGRUSLSA-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-/m0/s1.
What are the key properties of (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal?
(2R,3S)-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 (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal is sourced from PubChem (CID 10360165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).