(2R)-2-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol

C26H38O4Si — CID 134973355

IUPAC(2R)-2-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol
SMILESC[C@H](CO)[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C26H38O4Si/c1-20(18-27)24-17-21(29-26(5,6)30-24)19-28-31(25(2,3)4,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,24,27H,17-19H2,1-6H3/t20-,21+,24+/m1/s1
InChIKeyINJZNXVGUALCGO-DPLHUUCSSA-N
MW442.67 g/mol
LogP4.10
Rot. Bonds7

About (2R)-2-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol

(2R)-2-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol (PubChem CID 134973355) has the molecular formula C26H38O4Si and a molecular weight of 442.67 g/mol. Its IUPAC name is (2R)-2-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol
PubChem CID134973355
Molecular FormulaC26H38O4Si
Molecular Weight442.67 g/mol
Exact Mass442.25
IUPAC Name(2R)-2-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol
SMILESC[C@H](CO)[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C26H38O4Si/c1-20(18-27)24-17-21(29-26(5,6)30-24)19-28-31(25(2,3)4,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,24,27H,17-19H2,1-6H3/t20-,21+,24+/m1/s1
InChIKeyINJZNXVGUALCGO-DPLHUUCSSA-N
XLogP4.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.67
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol?
The IUPAC name of (2R)-2-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol (CID 134973355) is (2R)-2-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol?
The canonical SMILES for (2R)-2-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol is C[C@H](CO)[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O1.
What is the InChIKey of (2R)-2-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol?
The InChIKey is INJZNXVGUALCGO-DPLHUUCSSA-N. The full InChI is InChI=1S/C26H38O4Si/c1-20(18-27)24-17-21(29-26(5,6)30-24)19-28-31(25(2,3)4,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,24,27H,17-19H2,1-6H3/t20-,21+,24+/m1/s1.
What are the key properties of (2R)-2-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol?
(2R)-2-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol has a molecular weight of 442.67 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol is sourced from PubChem (CID 134973355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).