2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol

C22H40O6Si — CID 10342557

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol
SMILESCOCCOCOCC(CO)(COCc1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40O6Si/c1-21(2,3)29(5,6)28-18-22(15-23,17-27-19-25-13-12-24-4)16-26-14-20-10-8-7-9-11-20/h7-11,23H,12-19H2,1-6H3
InChIKeyBXYWIAGRBZTXSR-UHFFFAOYSA-N
MW428.64 g/mol
LogP3.84
Rot. Bonds15

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol (PubChem CID 10342557) has the molecular formula C22H40O6Si and a molecular weight of 428.64 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol
PubChem CID10342557
Molecular FormulaC22H40O6Si
Molecular Weight428.64 g/mol
Exact Mass428.26
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol
SMILESCOCCOCOCC(CO)(COCc1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40O6Si/c1-21(2,3)29(5,6)28-18-22(15-23,17-27-19-25-13-12-24-4)16-26-14-20-10-8-7-9-11-20/h7-11,23H,12-19H2,1-6H3
InChIKeyBXYWIAGRBZTXSR-UHFFFAOYSA-N
XLogP3.84
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.64
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate
CID 131734747
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-(hydroxymethyl)-2-(4-phenylmethoxybutoxymethyl)propane-1,3-diol
CID 131987442
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide
CID 11144701
trimethyl-[2-(phenylmethoxymethoxy)ethyl]silane
CID 15148810
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
(4S,5R)-N,N-dibenzyl-1-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)heptan-4-amine
CID 10962478
2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol
CID 15417178
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol (CID 10342557) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol is COCCOCOCC(CO)(COCc1ccccc1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol?
The InChIKey is BXYWIAGRBZTXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O6Si/c1-21(2,3)29(5,6)28-18-22(15-23,17-27-19-25-13-12-24-4)16-26-14-20-10-8-7-9-11-20/h7-11,23H,12-19H2,1-6H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol has a molecular weight of 428.64 g/mol, XLogP of 3.84, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol is sourced from PubChem (CID 10342557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).