(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one

C25H36O3Si — CID 11037048

IUPAC(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one
SMILESCCCCCC(=O)C[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36O3Si/c1-5-6-9-14-21(26)19-22(27)20-28-29(25(2,3)4,23-15-10-7-11-16-23)24-17-12-8-13-18-24/h7-8,10-13,15-18,22,27H,5-6,9,14,19-20H2,1-4H3/t22-/m1/s1
InChIKeyFEUVJHFXYMIFLD-JOCHJYFZSA-N
MW412.65 g/mol
LogP4.46
Rot. Bonds11

About (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one

(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one (PubChem CID 11037048) has the molecular formula C25H36O3Si and a molecular weight of 412.65 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one
PubChem CID11037048
Molecular FormulaC25H36O3Si
Molecular Weight412.65 g/mol
Exact Mass412.24
IUPAC Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one
SMILESCCCCCC(=O)C[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36O3Si/c1-5-6-9-14-21(26)19-22(27)20-28-29(25(2,3)4,23-15-10-7-11-16-23)24-17-12-8-13-18-24/h7-8,10-13,15-18,22,27H,5-6,9,14,19-20H2,1-4H3/t22-/m1/s1
InChIKeyFEUVJHFXYMIFLD-JOCHJYFZSA-N
XLogP4.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.65
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol
CID 23238598
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
CID 171529712
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
[1-[tert-butyl(diphenyl)silyl]oxy-3-prop-2-enoxypropan-2-yl] hexadecanoate
CID 10919152
1-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]decan-3-yl dodecanoate
CID 20578345
8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one
CID 142754739
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
ethyl (2R,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 101265935

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one?
The IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one (CID 11037048) is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one.
What is the SMILES notation for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one?
The canonical SMILES for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one is CCCCCC(=O)C[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one?
The InChIKey is FEUVJHFXYMIFLD-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H36O3Si/c1-5-6-9-14-21(26)19-22(27)20-28-29(25(2,3)4,23-15-10-7-11-16-23)24-17-12-8-13-18-24/h7-8,10-13,15-18,22,27H,5-6,9,14,19-20H2,1-4H3/t22-/m1/s1.
What are the key properties of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one?
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one has a molecular weight of 412.65 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one is sourced from PubChem (CID 11037048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).