(2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal

C22H48O3Si2 — CID 138981465

IUPAC(2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal
SMILESCC[C@@H](CCC[C@H](O[Si](C)(C)C(C)(C)C)C(C)C=O)O[Si](CC)(CC)CC
InChIInChI=1S/C22H48O3Si2/c1-11-20(24-27(12-2,13-3)14-4)16-15-17-21(19(5)18-23)25-26(9,10)22(6,7)8/h18-21H,11-17H2,1-10H3/t19?,20-,21-/m0/s1
InChIKeyTUUASLFHZHQMPJ-AKQSQHNNSA-N
MW416.80 g/mol
LogP7.18
Rot. Bonds14

About (2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal

(2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal (PubChem CID 138981465) has the molecular formula C22H48O3Si2 and a molecular weight of 416.80 g/mol. Its IUPAC name is (2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal.

Molecular Properties

Compound Name(2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal
PubChem CID138981465
Molecular FormulaC22H48O3Si2
Molecular Weight416.80 g/mol
Exact Mass416.31
IUPAC Name(2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal
SMILESCC[C@@H](CCC[C@H](O[Si](C)(C)C(C)(C)C)C(C)C=O)O[Si](CC)(CC)CC
InChIInChI=1S/C22H48O3Si2/c1-11-20(24-27(12-2,13-3)14-4)16-15-17-21(19(5)18-23)25-26(9,10)22(6,7)8/h18-21H,11-17H2,1-10H3/t19?,20-,21-/m0/s1
InChIKeyTUUASLFHZHQMPJ-AKQSQHNNSA-N
XLogP7.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.80
LogP ≤ 57.18
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal?
The IUPAC name of (2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal (CID 138981465) is (2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal.
What is the SMILES notation for (2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal?
The canonical SMILES for (2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal is CC[C@@H](CCC[C@H](O[Si](C)(C)C(C)(C)C)C(C)C=O)O[Si](CC)(CC)CC.
What is the InChIKey of (2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal?
The InChIKey is TUUASLFHZHQMPJ-AKQSQHNNSA-N. The full InChI is InChI=1S/C22H48O3Si2/c1-11-20(24-27(12-2,13-3)14-4)16-15-17-21(19(5)18-23)25-26(9,10)22(6,7)8/h18-21H,11-17H2,1-10H3/t19?,20-,21-/m0/s1.
What are the key properties of (2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal?
(2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal has a molecular weight of 416.80 g/mol, XLogP of 7.18, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal is sourced from PubChem (CID 138981465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).