(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol

C25H36O4Si — CID 11974075

IUPAC(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
SMILESCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](O)C1(C)C
InChIInChI=1S/C25H36O4Si/c1-24(2,3)30(20-13-9-7-10-14-20,21-15-11-8-12-16-21)28-18-19-17-22(26)25(4,5)23(27-6)29-19/h7-16,19,22-23,26H,17-18H2,1-6H3/t19-,22+,23-/m0/s1
InChIKeyVNCBQVGTYSSZNZ-PMOQBDJRSA-N
MW428.65 g/mol
LogP3.71
Rot. Bonds6

About (2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol

(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol (PubChem CID 11974075) has the molecular formula C25H36O4Si and a molecular weight of 428.65 g/mol. Its IUPAC name is (2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol.

Molecular Properties

Compound Name(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
PubChem CID11974075
Molecular FormulaC25H36O4Si
Molecular Weight428.65 g/mol
Exact Mass428.24
IUPAC Name(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
SMILESCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](O)C1(C)C
InChIInChI=1S/C25H36O4Si/c1-24(2,3)30(20-13-9-7-10-14-20,21-15-11-8-12-16-21)28-18-19-17-22(26)25(4,5)23(27-6)29-19/h7-16,19,22-23,26H,17-18H2,1-6H3/t19-,22+,23-/m0/s1
InChIKeyVNCBQVGTYSSZNZ-PMOQBDJRSA-N
XLogP3.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.65
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol 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

(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol
CID 357855
(2S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-one
CID 11973972
(2S,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974074
1-[Tert-butyl(diphenyl)silyl]oxy-5-(1,10-dioxaspiro[4.5]decan-2-yl)pentan-3-ol
CID 21583599
2-(([Tert-butyl(diphenyl)silyl]oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 3319542
methyl 5-O-t-butyldiphenylsilyl-2-deoxy-d-erythro-pentofuranoside
CID 11047329
(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 140702952
(2R,3S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dimethoxyoxan-3-ol
CID 18646869
(2R,3R,4R)-2-((tert-butyldiphenylsilyloxy)methyl)-4-fluoro-5-methoxy-4-methyl-tetrahydrofuran-3-ol
CID 57867368
(2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol
CID 140966523
(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxyoxolan-3-ol
CID 173615030
(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol
CID 10874560

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol?
The IUPAC name of (2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol (CID 11974075) is (2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol.
What is the SMILES notation for (2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol?
The canonical SMILES for (2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol is CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](O)C1(C)C.
What is the InChIKey of (2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol?
The InChIKey is VNCBQVGTYSSZNZ-PMOQBDJRSA-N. The full InChI is InChI=1S/C25H36O4Si/c1-24(2,3)30(20-13-9-7-10-14-20,21-15-11-8-12-16-21)28-18-19-17-22(26)25(4,5)23(27-6)29-19/h7-16,19,22-23,26H,17-18H2,1-6H3/t19-,22+,23-/m0/s1.
What are the key properties of (2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol?
(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol has a molecular weight of 428.65 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol is sourced from PubChem (CID 11974075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).