(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)butan-2-ol

C25H38O5Si — CID 10789555

IUPAC(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)butan-2-ol
SMILESCOCCOCOC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)O
InChIInChI=1S/C25H38O5Si/c1-21(26)22(18-29-20-28-17-16-27-5)19-30-31(25(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,21-22,26H,16-20H2,1-5H3/t21-,22+/m1/s1
InChIKeyYBLPPIXDHUJELL-YADHBBJMSA-N
MW446.66 g/mol
LogP3.20
Rot. Bonds13

About (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)butan-2-ol

(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)butan-2-ol (PubChem CID 10789555) has the molecular formula C25H38O5Si and a molecular weight of 446.66 g/mol. Its IUPAC name is (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)butan-2-ol
PubChem CID10789555
Molecular FormulaC25H38O5Si
Molecular Weight446.66 g/mol
Exact Mass446.25
IUPAC Name(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)butan-2-ol
SMILESCOCCOCOC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)O
InChIInChI=1S/C25H38O5Si/c1-21(26)22(18-29-20-28-17-16-27-5)19-30-31(25(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,21-22,26H,16-20H2,1-5H3/t21-,22+/m1/s1
InChIKeyYBLPPIXDHUJELL-YADHBBJMSA-N
XLogP3.20
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.66
LogP ≤ 53.20
H-Bond Donors ≤ 51
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol
CID 11799151
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
tert-butyl (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-4-(phenylmethoxymethoxy)butanoate
CID 100990271
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane
CID 134846014
tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxymethoxy]-2-methylbutanoate
CID 100990270
(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol
CID 72793343
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol
CID 11742663

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)butan-2-ol?
The IUPAC name of (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)butan-2-ol (CID 10789555) is (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)butan-2-ol.
What is the SMILES notation for (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)butan-2-ol?
The canonical SMILES for (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)butan-2-ol is COCCOCOC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)O.
What is the InChIKey of (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)butan-2-ol?
The InChIKey is YBLPPIXDHUJELL-YADHBBJMSA-N. The full InChI is InChI=1S/C25H38O5Si/c1-21(26)22(18-29-20-28-17-16-27-5)19-30-31(25(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,21-22,26H,16-20H2,1-5H3/t21-,22+/m1/s1.
What are the key properties of (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)butan-2-ol?
(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)butan-2-ol has a molecular weight of 446.66 g/mol, XLogP of 3.20, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)butan-2-ol is sourced from PubChem (CID 10789555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).