(2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal

C15H28O3Si — CID 11140643

IUPAC(2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal
SMILESCO[C@@H](/C=C/C=C/C=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-15(2,3)19(5,6)18-13-11-14(17-4)10-8-7-9-12-16/h7-10,12,14H,11,13H2,1-6H3/b9-7+,10-8+/t14-/m0/s1
InChIKeyQKYHABUANGLRIJ-NKYSGAOISA-N
MW284.47 g/mol
LogP3.72
Rot. Bonds8

About (2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal

(2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal (PubChem CID 11140643) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal.

Molecular Properties

Compound Name(2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal
PubChem CID11140643
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal
SMILESCO[C@@H](/C=C/C=C/C=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-15(2,3)19(5,6)18-13-11-14(17-4)10-8-7-9-12-16/h7-10,12,14H,11,13H2,1-6H3/b9-7+,10-8+/t14-/m0/s1
InChIKeyQKYHABUANGLRIJ-NKYSGAOISA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.72
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4S)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-pentenal
CID 10512836
ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
CID 11186803
(2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
CID 101493000
(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
CID 134866852
(E,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-2-enal
CID 138968523
Octa-2,4-dienoic acid, 7-(t-butyldimethylsilyloxy-, methyl ester
CID 5366636
(E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 21578834
4-[Tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 73803771
(E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 87732856
tert-butyl-[(3R,4E)-3-methoxyhepta-4,6-dienoxy]-dimethylsilane
CID 140142858
(2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal
CID 11245958
(2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal;carbon monoxide;iron
CID 11304413

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal?
The IUPAC name of (2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal (CID 11140643) is (2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal.
What is the SMILES notation for (2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal?
The canonical SMILES for (2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal is CO[C@@H](/C=C/C=C/C=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal?
The InChIKey is QKYHABUANGLRIJ-NKYSGAOISA-N. The full InChI is InChI=1S/C15H28O3Si/c1-15(2,3)19(5,6)18-13-11-14(17-4)10-8-7-9-12-16/h7-10,12,14H,11,13H2,1-6H3/b9-7+,10-8+/t14-/m0/s1.
What are the key properties of (2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal?
(2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal has a molecular weight of 284.47 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal is sourced from PubChem (CID 11140643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).