(E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal

C19H40O3Si2 — CID 156686212

IUPAC(E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H](CC=O)O[Si](C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-12-13-16(22-24(10,11)18(2,3)4)19(5,6)17(14-15-20)21-23(7,8)9/h12-13,15-17H,14H2,1-11H3/b13-12+/t16-,17-/m0/s1
InChIKeyZYSGHBWJBPBBJT-CPQFKCLQSA-N
MW372.70 g/mol
LogP5.79
Rot. Bonds9

About (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal

(E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal (PubChem CID 156686212) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal.

Molecular Properties

Compound Name(E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal
PubChem CID156686212
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Name(E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H](CC=O)O[Si](C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-12-13-16(22-24(10,11)18(2,3)4)19(5,6)17(14-15-20)21-23(7,8)9/h12-13,15-17H,14H2,1-11H3/b13-12+/t16-,17-/m0/s1
InChIKeyZYSGHBWJBPBBJT-CPQFKCLQSA-N
XLogP5.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.79
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

(E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal
CID 101391066
(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enal
CID 10955754
(3S,5S,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-6,6-dimethyldec-9-enal
CID 101494851
[(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-enyl]-triphenylphosphanium
CID 11343407
(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-4,4-dimethyloct-6-en-1-ol
CID 10873547
6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol
CID 91552534
1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine
CID 175848206
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,5-dimethylhex-2-enoic acid
CID 87423006
(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal
CID 101384249
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3S)-3-methyloxiran-2-yl]propanal
CID 102012218
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynal
CID 11218406
7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyltetradeca-2,4,10,12-tetraenal
CID 175929662

Frequently Asked Questions

What is the IUPAC name of (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal?
The IUPAC name of (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal (CID 156686212) is (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal.
What is the SMILES notation for (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal?
The canonical SMILES for (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal is C/C=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H](CC=O)O[Si](C)(C)C.
What is the InChIKey of (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal?
The InChIKey is ZYSGHBWJBPBBJT-CPQFKCLQSA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-12-13-16(22-24(10,11)18(2,3)4)19(5,6)17(14-15-20)21-23(7,8)9/h12-13,15-17H,14H2,1-11H3/b13-12+/t16-,17-/m0/s1.
What are the key properties of (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal?
(E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal has a molecular weight of 372.70 g/mol, XLogP of 5.79, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal is sourced from PubChem (CID 156686212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).