5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal

C18H34O3Si — CID 141095036

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal
SMILESC=CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)C(C)(C)C=O
InChIInChI=1S/C18H34O3Si/c1-11-13(2)15(21-22(9,10)17(4,5)6)14(3)16(20)18(7,8)12-19/h11-15H,1H2,2-10H3
InChIKeyREGXEVFQGUZXRK-UHFFFAOYSA-N
MW326.55 g/mol
LogP4.63
Rot. Bonds8

About 5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal

5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal (PubChem CID 141095036) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal
PubChem CID141095036
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal
SMILESC=CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)C(C)(C)C=O
InChIInChI=1S/C18H34O3Si/c1-11-13(2)15(21-22(9,10)17(4,5)6)14(3)16(20)18(7,8)12-19/h11-15H,1H2,2-10H3
InChIKeyREGXEVFQGUZXRK-UHFFFAOYSA-N
XLogP4.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal
CID 146161663
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one
CID 11055220
5-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one
CID 12080792
(E,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal
CID 44475811
(E,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal
CID 59869547
(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal
CID 91089026
methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal
CID 157362945
(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-ethenyl-3-oxodecanal
CID 158361817
methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal
CID 160707559
(2S,3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enal
CID 10599914
(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one
CID 10946008
cis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde
CID 11162274

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal (CID 141095036) is 5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal is C=CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)C(C)(C)C=O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal?
The InChIKey is REGXEVFQGUZXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-11-13(2)15(21-22(9,10)17(4,5)6)14(3)16(20)18(7,8)12-19/h11-15H,1H2,2-10H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal?
5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal has a molecular weight of 326.55 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal is sourced from PubChem (CID 141095036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).