(2S,3S,5S)-2,7-dimethyl-3,5-bis(triethylsilyloxy)oct-6-enal

C22H46O3Si2 — CID 10916689

IUPAC(2S,3S,5S)-2,7-dimethyl-3,5-bis(triethylsilyloxy)oct-6-enal
SMILESCC[Si](CC)(CC)O[C@H](C=C(C)C)C[C@H](O[Si](CC)(CC)CC)[C@H](C)C=O
InChIInChI=1S/C22H46O3Si2/c1-10-26(11-2,12-3)24-21(16-19(7)8)17-22(20(9)18-23)25-27(13-4,14-5)15-6/h16,18,20-22H,10-15,17H2,1-9H3/t20-,21-,22+/m1/s1
InChIKeyZKLYRTHYVIHZEV-VSKRKVRLSA-N
MW414.78 g/mol
LogP6.96
Rot. Bonds15

About (2S,3S,5S)-2,7-dimethyl-3,5-bis(triethylsilyloxy)oct-6-enal

(2S,3S,5S)-2,7-dimethyl-3,5-bis(triethylsilyloxy)oct-6-enal (PubChem CID 10916689) has the molecular formula C22H46O3Si2 and a molecular weight of 414.78 g/mol. Its IUPAC name is (2S,3S,5S)-2,7-dimethyl-3,5-bis(triethylsilyloxy)oct-6-enal.

Molecular Properties

Compound Name(2S,3S,5S)-2,7-dimethyl-3,5-bis(triethylsilyloxy)oct-6-enal
PubChem CID10916689
Molecular FormulaC22H46O3Si2
Molecular Weight414.78 g/mol
Exact Mass414.30
IUPAC Name(2S,3S,5S)-2,7-dimethyl-3,5-bis(triethylsilyloxy)oct-6-enal
SMILESCC[Si](CC)(CC)O[C@H](C=C(C)C)C[C@H](O[Si](CC)(CC)CC)[C@H](C)C=O
InChIInChI=1S/C22H46O3Si2/c1-10-26(11-2,12-3)24-21(16-19(7)8)17-22(20(9)18-23)25-27(13-4,14-5)15-6/h16,18,20-22H,10-15,17H2,1-9H3/t20-,21-,22+/m1/s1
InChIKeyZKLYRTHYVIHZEV-VSKRKVRLSA-N
XLogP6.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.78
LogP ≤ 56.96
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,2S,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enal
CID 10250059
(E,2S,3R,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal
CID 25108384
(E,2S,3R,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-3-triethylsilyloxydec-8-enal
CID 72164491
(3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-triethylsilyloxy-5-trimethylsilyloxyhexanal
CID 101395985
(E,2S,3S,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal
CID 102413098
2-[(1R,6S)-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]-4-methylcyclohex-3-en-1-yl]acetaldehyde
CID 162397380
(E)-3-[tert-butyl(dimethyl)silyl]oxy-5-[di(propan-2-yl)-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silyl]oxy-4,6-dimethyloct-6-enal
CID 162538239
(3S,5S)-3,5-Bis{[tert-butyl(dimethyl)silyl]oxy}hept-6-enal
CID 71350098
(Z,3R,5S,8R)-8-(butoxymethyl)-3-methoxy-6-methyl-5-triethylsilyloxydec-6-enal
CID 89898450
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-enal
CID 140765700
(E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal
CID 156686212
tert-butyl-[(3S,4S,5E)-3,5-dimethylhepta-1,5-dien-4-yl]oxy-dimethylsilane;(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-enal;methane
CID 159066370

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-2,7-dimethyl-3,5-bis(triethylsilyloxy)oct-6-enal?
The IUPAC name of (2S,3S,5S)-2,7-dimethyl-3,5-bis(triethylsilyloxy)oct-6-enal (CID 10916689) is (2S,3S,5S)-2,7-dimethyl-3,5-bis(triethylsilyloxy)oct-6-enal.
What is the SMILES notation for (2S,3S,5S)-2,7-dimethyl-3,5-bis(triethylsilyloxy)oct-6-enal?
The canonical SMILES for (2S,3S,5S)-2,7-dimethyl-3,5-bis(triethylsilyloxy)oct-6-enal is CC[Si](CC)(CC)O[C@H](C=C(C)C)C[C@H](O[Si](CC)(CC)CC)[C@H](C)C=O.
What is the InChIKey of (2S,3S,5S)-2,7-dimethyl-3,5-bis(triethylsilyloxy)oct-6-enal?
The InChIKey is ZKLYRTHYVIHZEV-VSKRKVRLSA-N. The full InChI is InChI=1S/C22H46O3Si2/c1-10-26(11-2,12-3)24-21(16-19(7)8)17-22(20(9)18-23)25-27(13-4,14-5)15-6/h16,18,20-22H,10-15,17H2,1-9H3/t20-,21-,22+/m1/s1.
What are the key properties of (2S,3S,5S)-2,7-dimethyl-3,5-bis(triethylsilyloxy)oct-6-enal?
(2S,3S,5S)-2,7-dimethyl-3,5-bis(triethylsilyloxy)oct-6-enal has a molecular weight of 414.78 g/mol, XLogP of 6.96, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-2,7-dimethyl-3,5-bis(triethylsilyloxy)oct-6-enal is sourced from PubChem (CID 10916689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).