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

C18H38O3Si2 — CID 138968523

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

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

(E,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-2-enal (PubChem CID 138968523) has the molecular formula C18H38O3Si2 and a molecular weight of 358.67 g/mol. Its IUPAC name is (E,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-2-enal.

Molecular Properties

Compound Name(E,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-2-enal
PubChem CID138968523
Molecular FormulaC18H38O3Si2
Molecular Weight358.67 g/mol
Exact Mass358.24
IUPAC Name(E,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-2-enal
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-17(2,3)22(7,8)20-15-13-16(12-11-14-19)21-23(9,10)18(4,5)6/h11-12,14,16H,13,15H2,1-10H3/b12-11+/t16-/m0/s1
InChIKeyXRIVHXSKSKYSIM-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,4S)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-pentenal
CID 10512836
(2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal
CID 11140643
(E,4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-enal
CID 16732549
(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-enal
CID 49788314
(2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
CID 101493000
(4s)-(z)-4-(Triisopropylsilyl-oxy)pent-2-enal
CID 129826283
(2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal
CID 132607456
(2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal
CID 135036509
(2E,4S,6Z,9Z)-4,12-bis[[tert-butyl(dimethyl)silyl]oxy]dodeca-2,6,9-trienal
CID 138968661
(2E,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,7-dienal
CID 11954550
(E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal
CID 19760587
(E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 21578834

Frequently Asked Questions

What is the IUPAC name of (E,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-2-enal?
The IUPAC name of (E,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-2-enal (CID 138968523) is (E,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-2-enal.
What is the SMILES notation for (E,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-2-enal?
The canonical SMILES for (E,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-2-enal is CC(C)(C)[Si](C)(C)OCC[C@H](/C=C/C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-2-enal?
The InChIKey is XRIVHXSKSKYSIM-PCUGXKRQSA-N. The full InChI is InChI=1S/C18H38O3Si2/c1-17(2,3)22(7,8)20-15-13-16(12-11-14-19)21-23(9,10)18(4,5)6/h11-12,14,16H,13,15H2,1-10H3/b12-11+/t16-/m0/s1.
What are the key properties of (E,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-2-enal?
(E,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-2-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,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-2-enal is sourced from PubChem (CID 138968523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).