(2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one

C29H36O2Si — CID 122207638

IUPAC(2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one
SMILESC[C@H](CC[C@@H](C)C(=O)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H36O2Si/c1-23(28(30)25-15-9-6-10-16-25)21-22-24(2)31-32(29(3,4)5,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h6-20,23-24H,21-22H2,1-5H3/t23-,24-/m1/s1
InChIKeyKNHKRIUDURLWOW-DNQXCXABSA-N
MW444.69 g/mol
LogP6.25
Rot. Bonds9

About (2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one

(2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one (PubChem CID 122207638) has the molecular formula C29H36O2Si and a molecular weight of 444.69 g/mol. Its IUPAC name is (2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one.

Molecular Properties

Compound Name(2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one
PubChem CID122207638
Molecular FormulaC29H36O2Si
Molecular Weight444.69 g/mol
Exact Mass444.25
IUPAC Name(2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one
SMILESC[C@H](CC[C@@H](C)C(=O)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H36O2Si/c1-23(28(30)25-15-9-6-10-16-25)21-22-24(2)31-32(29(3,4)5,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h6-20,23-24H,21-22H2,1-5H3/t23-,24-/m1/s1
InChIKeyKNHKRIUDURLWOW-DNQXCXABSA-N
XLogP6.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.69
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486
(4S)-4-[tert-butyl(diphenyl)silyl]oxypentane-1-sulfonic acid
CID 172708913
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol
CID 134834787
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
CID 11988597
[(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexyl]-triphenylphosphanium bromide
CID 11802691
6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol
CID 70299743

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one?
The IUPAC name of (2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one (CID 122207638) is (2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one.
What is the SMILES notation for (2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one?
The canonical SMILES for (2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one is C[C@H](CC[C@@H](C)C(=O)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one?
The InChIKey is KNHKRIUDURLWOW-DNQXCXABSA-N. The full InChI is InChI=1S/C29H36O2Si/c1-23(28(30)25-15-9-6-10-16-25)21-22-24(2)31-32(29(3,4)5,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h6-20,23-24H,21-22H2,1-5H3/t23-,24-/m1/s1.
What are the key properties of (2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one?
(2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one has a molecular weight of 444.69 g/mol, XLogP of 6.25, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one is sourced from PubChem (CID 122207638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).