(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal

C32H42O3Si — CID 11168008

IUPAC(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal
SMILESC[C@H](CC=O)[C@@H](CCCCOCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H42O3Si/c1-27(23-24-33)31(22-14-15-25-34-26-28-16-8-5-9-17-28)35-36(32(2,3)4,29-18-10-6-11-19-29)30-20-12-7-13-21-30/h5-13,16-21,24,27,31H,14-15,22-23,25-26H2,1-4H3/t27-,31-/m1/s1
InChIKeyDLGFBHBTVAAZSB-DLFZDVPBSA-N
MW502.77 g/mol
LogP6.54
Rot. Bonds14

About (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal

(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal (PubChem CID 11168008) has the molecular formula C32H42O3Si and a molecular weight of 502.77 g/mol. Its IUPAC name is (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal.

Molecular Properties

Compound Name(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal
PubChem CID11168008
Molecular FormulaC32H42O3Si
Molecular Weight502.77 g/mol
Exact Mass502.29
IUPAC Name(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal
SMILESC[C@H](CC=O)[C@@H](CCCCOCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H42O3Si/c1-27(23-24-33)31(22-14-15-25-34-26-28-16-8-5-9-17-28)35-36(32(2,3)4,29-18-10-6-11-19-29)30-20-12-7-13-21-30/h5-13,16-21,24,27,31H,14-15,22-23,25-26H2,1-4H3/t27-,31-/m1/s1
InChIKeyDLGFBHBTVAAZSB-DLFZDVPBSA-N
XLogP6.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.77
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane
CID 57341570
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-phenylmethoxyoctanal
CID 51041198
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane
CID 134833176
(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal
CID 11179531
(3S,4R,5S)-3-[tert-butyl(diphenyl)silyl]oxy-6-[(4S,5S)-5-[3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-4-(phenylmethoxymethoxy)hexanal
CID 11181899
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane
CID 134872566
magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide
CID 11125202
(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-8-phenylmethoxyoctanal
CID 11081542
[(4R,6S,7R)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1-phenylmethoxydec-9-en-4-yl] 2-methoxy-6-prop-2-enylbenzoate
CID 101095816
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal?
The IUPAC name of (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal (CID 11168008) is (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal.
What is the SMILES notation for (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal?
The canonical SMILES for (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal is C[C@H](CC=O)[C@@H](CCCCOCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal?
The InChIKey is DLGFBHBTVAAZSB-DLFZDVPBSA-N. The full InChI is InChI=1S/C32H42O3Si/c1-27(23-24-33)31(22-14-15-25-34-26-28-16-8-5-9-17-28)35-36(32(2,3)4,29-18-10-6-11-19-29)30-20-12-7-13-21-30/h5-13,16-21,24,27,31H,14-15,22-23,25-26H2,1-4H3/t27-,31-/m1/s1.
What are the key properties of (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal?
(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal has a molecular weight of 502.77 g/mol, XLogP of 6.54, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal is sourced from PubChem (CID 11168008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).