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

C19H36O3Si — CID 91089026

IUPAC(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal
SMILESCC=C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)C=O
InChIInChI=1S/C19H36O3Si/c1-11-12-14(2)16(22-23(9,10)18(4,5)6)15(3)17(21)19(7,8)13-20/h11-16H,1-10H3/t14-,15+,16-/m0/s1
InChIKeyYTODEJNMFNVNSU-XHSDSOJGSA-N
MW340.58 g/mol
LogP5.02
Rot. Bonds8

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

(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal (PubChem CID 91089026) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal.

Molecular Properties

Compound Name(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal
PubChem CID91089026
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal
SMILESCC=C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)C=O
InChIInChI=1S/C19H36O3Si/c1-11-12-14(2)16(22-23(9,10)18(4,5)6)15(3)17(21)19(7,8)13-20/h11-16H,1-10H3/t14-,15+,16-/m0/s1
InChIKeyYTODEJNMFNVNSU-XHSDSOJGSA-N
XLogP5.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.02
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'}

Analyze (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal with MolForge

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Launch Full Analysis

Related Compounds

(E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal
CID 10882441
(5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one
CID 25022823
(5S,6S,9S,10S)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one
CID 44516379
(2S,3S,4S,6E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnona-6,8-dienal
CID 135013444
(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
5-[Tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal
CID 141095036
(2S,3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enal
CID 10599914
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-3-en-1-yl-2-methylbutanal
CID 11630566
(E,3R,4R,5R,6S)-5-methoxy-4,6-dimethyl-3-triethylsilyloxydec-8-enal
CID 42604607
(3Z)-6,6-dimethyl-7-tri(propan-2-yl)silyloxycyclooct-3-en-1-one
CID 101127143
(E,3S,4R,5R,6S)-5-methoxy-4,6-dimethyl-3-triethylsilyloxydec-8-enal
CID 101462356

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal?
The IUPAC name of (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal (CID 91089026) is (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal.
What is the SMILES notation for (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal?
The canonical SMILES for (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal is CC=C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)C=O.
What is the InChIKey of (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal?
The InChIKey is YTODEJNMFNVNSU-XHSDSOJGSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-11-12-14(2)16(22-23(9,10)18(4,5)6)15(3)17(21)19(7,8)13-20/h11-16H,1-10H3/t14-,15+,16-/m0/s1.
What are the key properties of (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal?
(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal has a molecular weight of 340.58 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal is sourced from PubChem (CID 91089026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).