[(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane

C25H40O4Si2 — CID 134878735

IUPAC[(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@H](COCc1ccccc1)C[C@H](COCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C25H40O4Si2/c1-30(2,3)28-24(20-26-18-22-13-9-7-10-14-22)17-25(29-31(4,5)6)21-27-19-23-15-11-8-12-16-23/h7-16,24-25H,17-21H2,1-6H3/t24-,25+
InChIKeyZEJRQOVBOKACNH-PLQXJYEYSA-N
MW460.76 g/mol
LogP6.25
Rot. Bonds14

About [(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane

[(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane (PubChem CID 134878735) has the molecular formula C25H40O4Si2 and a molecular weight of 460.76 g/mol. Its IUPAC name is [(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
PubChem CID134878735
Molecular FormulaC25H40O4Si2
Molecular Weight460.76 g/mol
Exact Mass460.25
IUPAC Name[(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@H](COCc1ccccc1)C[C@H](COCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C25H40O4Si2/c1-30(2,3)28-24(20-26-18-22-13-9-7-10-14-22)17-25(29-31(4,5)6)21-27-19-23-15-11-8-12-16-23/h7-16,24-25H,17-21H2,1-6H3/t24-,25+
InChIKeyZEJRQOVBOKACNH-PLQXJYEYSA-N
XLogP6.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.76
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane
CID 71446134
propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate
CID 101383246
trimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane
CID 175436607
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
[(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide
CID 11228048
[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
CID 57272060
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
trimethyl-[(Z,4R)-4-methyl-1-phenyl-5-phenylmethoxypent-2-en-2-yl]silane
CID 101162239
2-ethoxy-3-phenylmethoxypropan-1-amine
CID 63069675
ethane;phenylmethoxymethylbenzene
CID 90943549

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane?
The IUPAC name of [(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane (CID 134878735) is [(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane is C[Si](C)(C)O[C@H](COCc1ccccc1)C[C@H](COCc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of [(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane?
The InChIKey is ZEJRQOVBOKACNH-PLQXJYEYSA-N. The full InChI is InChI=1S/C25H40O4Si2/c1-30(2,3)28-24(20-26-18-22-13-9-7-10-14-22)17-25(29-31(4,5)6)21-27-19-23-15-11-8-12-16-23/h7-16,24-25H,17-21H2,1-6H3/t24-,25+.
What are the key properties of [(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane?
[(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane has a molecular weight of 460.76 g/mol, XLogP of 6.25, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 134878735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).