(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal

C18H38O3Si2 — CID 11961736

IUPAC(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-17(2,3)22(7,8)20-14-12-11-13-16(15-19)21-23(9,10)18(4,5)6/h11-12,15-16H,13-14H2,1-10H3/b12-11+/t16-/m0/s1
InChIKeyDESAZFJDEBGUTO-PCUGXKRQSA-N
MW358.67 g/mol
LogP5.54
Rot. Bonds8

About (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal

(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal (PubChem CID 11961736) has the molecular formula C18H38O3Si2 and a molecular weight of 358.67 g/mol. Its IUPAC name is (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal.

Molecular Properties

Compound Name(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal
PubChem CID11961736
Molecular FormulaC18H38O3Si2
Molecular Weight358.67 g/mol
Exact Mass358.24
IUPAC Name(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-17(2,3)22(7,8)20-14-12-11-13-16(15-19)21-23(9,10)18(4,5)6/h11-12,15-16H,13-14H2,1-10H3/b12-11+/t16-/m0/s1
InChIKeyDESAZFJDEBGUTO-PCUGXKRQSA-N
XLogP5.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.67
LogP ≤ 55.54
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 (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal?
The IUPAC name of (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal (CID 11961736) is (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal.
What is the SMILES notation for (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal?
The canonical SMILES for (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal is CC(C)(C)[Si](C)(C)OC/C=C/C[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal?
The InChIKey is DESAZFJDEBGUTO-PCUGXKRQSA-N. The full InChI is InChI=1S/C18H38O3Si2/c1-17(2,3)22(7,8)20-14-12-11-13-16(15-19)21-23(9,10)18(4,5)6/h11-12,15-16H,13-14H2,1-10H3/b12-11+/t16-/m0/s1.
What are the key properties of (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal?
(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal has a molecular weight of 358.67 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal is sourced from PubChem (CID 11961736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).