(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxy-6-triethylsilyloxyoctan-2-one

C27H50O4Si2 — CID 10962064

IUPAC(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxy-6-triethylsilyloxyoctan-2-one
SMILESCC[Si](CC)(CC)O[C@@H](CCOCc1ccccc1)C[C@@H](CC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H50O4Si2/c1-10-33(11-2,12-3)31-25(18-19-29-22-24-16-14-13-15-17-24)21-26(20-23(4)28)30-32(8,9)27(5,6)7/h13-17,25-26H,10-12,18-22H2,1-9H3/t25-,26+/m0/s1
InChIKeyHMWYQFBTCYEKAF-IZZNHLLZSA-N
MW494.87 g/mol
LogP7.74
Rot. Bonds16

About (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxy-6-triethylsilyloxyoctan-2-one

(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxy-6-triethylsilyloxyoctan-2-one (PubChem CID 10962064) has the molecular formula C27H50O4Si2 and a molecular weight of 494.87 g/mol. Its IUPAC name is (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxy-6-triethylsilyloxyoctan-2-one.

Molecular Properties

Compound Name(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxy-6-triethylsilyloxyoctan-2-one
PubChem CID10962064
Molecular FormulaC27H50O4Si2
Molecular Weight494.87 g/mol
Exact Mass494.32
IUPAC Name(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxy-6-triethylsilyloxyoctan-2-one
SMILESCC[Si](CC)(CC)O[C@@H](CCOCc1ccccc1)C[C@@H](CC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H50O4Si2/c1-10-33(11-2,12-3)31-25(18-19-29-22-24-16-14-13-15-17-24)21-26(20-23(4)28)30-32(8,9)27(5,6)7/h13-17,25-26H,10-12,18-22H2,1-9H3/t25-,26+/m0/s1
InChIKeyHMWYQFBTCYEKAF-IZZNHLLZSA-N
XLogP7.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.87
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxy-6-triethylsilyloxyoctan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[Tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one
CID 10956840
(3S,5S)-5-((tert-butyldimethylsilyl)oxy)-3-(((R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy)hexanoate
CID 164888857
(3R,5S)-5-((tert-butyldimethylsilyl)oxy)-3-(((S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy)hexanoate
CID 164888889
(3R,5S)-5-((tert-butyldimethylsilyl)oxy)-3-(((R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy)hexanoate
CID 164888890
(3S,5S)-5-((tert-butyldimethylsilyl)oxy)-3-(((S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy)hexanoate
CID 164888891
3-Phenyl-3-(4-trimethylsilylbut-2-ynoxy)propanal
CID 101412812
(3S,4S)-3-Hexyl-4-[(2R)-2-(phenylmethoxy)tridecyl]-2-oxetanone
CID 10026514
(2S,3S,5R)-5-(benzyloxy)-3-((tert-butyldimethylsilyl)oxy)-2-hexylhexadecanoic acid
CID 10348166
(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanal
CID 11717284
(7R,9R)-9-methyl-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one
CID 46176723
propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
CID 58567262
5-O-benzyl 1-O-methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
CID 134942485

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxy-6-triethylsilyloxyoctan-2-one?
The IUPAC name of (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxy-6-triethylsilyloxyoctan-2-one (CID 10962064) is (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxy-6-triethylsilyloxyoctan-2-one.
What is the SMILES notation for (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxy-6-triethylsilyloxyoctan-2-one?
The canonical SMILES for (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxy-6-triethylsilyloxyoctan-2-one is CC[Si](CC)(CC)O[C@@H](CCOCc1ccccc1)C[C@@H](CC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxy-6-triethylsilyloxyoctan-2-one?
The InChIKey is HMWYQFBTCYEKAF-IZZNHLLZSA-N. The full InChI is InChI=1S/C27H50O4Si2/c1-10-33(11-2,12-3)31-25(18-19-29-22-24-16-14-13-15-17-24)21-26(20-23(4)28)30-32(8,9)27(5,6)7/h13-17,25-26H,10-12,18-22H2,1-9H3/t25-,26+/m0/s1.
What are the key properties of (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxy-6-triethylsilyloxyoctan-2-one?
(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxy-6-triethylsilyloxyoctan-2-one has a molecular weight of 494.87 g/mol, XLogP of 7.74, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxy-6-triethylsilyloxyoctan-2-one is sourced from PubChem (CID 10962064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).