tert-butyl-chloro-diphenylsilane;(2R)-hexadecan-2-ol;methanol;methyl (2S)-2-hydroxyhexadecanoate

C50H91ClO5Si — CID 90924909

IUPACtert-butyl-chloro-diphenylsilane;(2R)-hexadecan-2-ol;methanol;methyl (2S)-2-hydroxyhexadecanoate
SMILESCC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CCCCCCCCCCCCCC[C@@H](C)O.CCCCCCCCCCCCCC[C@H](O)C(=O)OC.CO
InChIInChI=1S/C17H34O3.C16H19ClSi.C16H34O.CH4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20-2;1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17;1-2/h16,18H,3-15H2,1-2H3;4-13H,1-3H3;16-17H,3-15H2,1-2H3;2H,1H3/t16-;;16-;/m0.1./s1
InChIKeyUIHZJXFRZFSUNX-ZOXBMLOCSA-N
MW835.81 g/mol
LogP13.46
Rot. Bonds29

About tert-butyl-chloro-diphenylsilane;(2R)-hexadecan-2-ol;methanol;methyl (2S)-2-hydroxyhexadecanoate

tert-butyl-chloro-diphenylsilane;(2R)-hexadecan-2-ol;methanol;methyl (2S)-2-hydroxyhexadecanoate (PubChem CID 90924909) has the molecular formula C50H91ClO5Si and a molecular weight of 835.81 g/mol. Its IUPAC name is tert-butyl-chloro-diphenylsilane;(2R)-hexadecan-2-ol;methanol;methyl (2S)-2-hydroxyhexadecanoate.

Molecular Properties

Compound Nametert-butyl-chloro-diphenylsilane;(2R)-hexadecan-2-ol;methanol;methyl (2S)-2-hydroxyhexadecanoate
PubChem CID90924909
Molecular FormulaC50H91ClO5Si
Molecular Weight835.81 g/mol
Exact Mass834.63
IUPAC Nametert-butyl-chloro-diphenylsilane;(2R)-hexadecan-2-ol;methanol;methyl (2S)-2-hydroxyhexadecanoate
SMILESCC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CCCCCCCCCCCCCC[C@@H](C)O.CCCCCCCCCCCCCC[C@H](O)C(=O)OC.CO
InChIInChI=1S/C17H34O3.C16H19ClSi.C16H34O.CH4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20-2;1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17;1-2/h16,18H,3-15H2,1-2H3;4-13H,1-3H3;16-17H,3-15H2,1-2H3;2H,1H3/t16-;;16-;/m0.1./s1
InChIKeyUIHZJXFRZFSUNX-ZOXBMLOCSA-N
XLogP13.46
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds29
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.81
LogP ≤ 513.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxyhexadecanoate
CID 91533261
methyl (2S)-2-(tert-butyl-methoxy-phenylsilyl)oxydodecanoate
CID 14693894
methyl (2S)-2-hydroxyheptanoate
CID 71444954
benzyl 2-hydroxydecanoate
CID 139390218
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
methyl (2R)-2-decoxy-2-phenylacetate
CID 45114277
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
methyl 10-[chloro(diphenyl)silyl]octadecanoate
CID 101109985
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
CID 123768020
[(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate
CID 134839010
4-aminobenzoic acid;(2R)-octan-2-ol
CID 71443340

Frequently Asked Questions

What is the IUPAC name of tert-butyl-chloro-diphenylsilane;(2R)-hexadecan-2-ol;methanol;methyl (2S)-2-hydroxyhexadecanoate?
The IUPAC name of tert-butyl-chloro-diphenylsilane;(2R)-hexadecan-2-ol;methanol;methyl (2S)-2-hydroxyhexadecanoate (CID 90924909) is tert-butyl-chloro-diphenylsilane;(2R)-hexadecan-2-ol;methanol;methyl (2S)-2-hydroxyhexadecanoate.
What is the SMILES notation for tert-butyl-chloro-diphenylsilane;(2R)-hexadecan-2-ol;methanol;methyl (2S)-2-hydroxyhexadecanoate?
The canonical SMILES for tert-butyl-chloro-diphenylsilane;(2R)-hexadecan-2-ol;methanol;methyl (2S)-2-hydroxyhexadecanoate is CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CCCCCCCCCCCCCC[C@@H](C)O.CCCCCCCCCCCCCC[C@H](O)C(=O)OC.CO.
What is the InChIKey of tert-butyl-chloro-diphenylsilane;(2R)-hexadecan-2-ol;methanol;methyl (2S)-2-hydroxyhexadecanoate?
The InChIKey is UIHZJXFRZFSUNX-ZOXBMLOCSA-N. The full InChI is InChI=1S/C17H34O3.C16H19ClSi.C16H34O.CH4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20-2;1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17;1-2/h16,18H,3-15H2,1-2H3;4-13H,1-3H3;16-17H,3-15H2,1-2H3;2H,1H3/t16-;;16-;/m0.1./s1.
What are the key properties of tert-butyl-chloro-diphenylsilane;(2R)-hexadecan-2-ol;methanol;methyl (2S)-2-hydroxyhexadecanoate?
tert-butyl-chloro-diphenylsilane;(2R)-hexadecan-2-ol;methanol;methyl (2S)-2-hydroxyhexadecanoate has a molecular weight of 835.81 g/mol, XLogP of 13.46, 29 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-chloro-diphenylsilane;(2R)-hexadecan-2-ol;methanol;methyl (2S)-2-hydroxyhexadecanoate is sourced from PubChem (CID 90924909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).