2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,5-tris(hydroxymethyl)hexane-1,3,4,6-tetrol

C26H40O8Si — CID 70258248

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,5-tris(hydroxymethyl)hexane-1,3,4,6-tetrol
SMILESCC(C)(C)[Si](OCC(CO)(CO)C(O)C(O)C(CO)(CO)CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O8Si/c1-24(2,3)35(20-10-6-4-7-11-20,21-12-8-5-9-13-21)34-19-26(17-30,18-31)23(33)22(32)25(14-27,15-28)16-29/h4-13,22-23,27-33H,14-19H2,1-3H3
InChIKeyCQBXRNIFYHFFCR-UHFFFAOYSA-N
MW508.68 g/mol
LogP-0.78
Rot. Bonds13

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,5-tris(hydroxymethyl)hexane-1,3,4,6-tetrol

2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,5-tris(hydroxymethyl)hexane-1,3,4,6-tetrol (PubChem CID 70258248) has the molecular formula C26H40O8Si and a molecular weight of 508.68 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,5-tris(hydroxymethyl)hexane-1,3,4,6-tetrol.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,5-tris(hydroxymethyl)hexane-1,3,4,6-tetrol
PubChem CID70258248
Molecular FormulaC26H40O8Si
Molecular Weight508.68 g/mol
Exact Mass508.25
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,5-tris(hydroxymethyl)hexane-1,3,4,6-tetrol
SMILESCC(C)(C)[Si](OCC(CO)(CO)C(O)C(O)C(CO)(CO)CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O8Si/c1-24(2,3)35(20-10-6-4-7-11-20,21-12-8-5-9-13-21)34-19-26(17-30,18-31)23(33)22(32)25(14-27,15-28)16-29/h4-13,22-23,27-33H,14-19H2,1-3H3
InChIKeyCQBXRNIFYHFFCR-UHFFFAOYSA-N
XLogP-0.78
TPSA150.84 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.68
LogP ≤ 5-0.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,5-tris(hydroxymethyl)hexane-1,3,4,6-tetrol?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,5-tris(hydroxymethyl)hexane-1,3,4,6-tetrol (CID 70258248) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,5-tris(hydroxymethyl)hexane-1,3,4,6-tetrol.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,5-tris(hydroxymethyl)hexane-1,3,4,6-tetrol?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,5-tris(hydroxymethyl)hexane-1,3,4,6-tetrol is CC(C)(C)[Si](OCC(CO)(CO)C(O)C(O)C(CO)(CO)CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,5-tris(hydroxymethyl)hexane-1,3,4,6-tetrol?
The InChIKey is CQBXRNIFYHFFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O8Si/c1-24(2,3)35(20-10-6-4-7-11-20,21-12-8-5-9-13-21)34-19-26(17-30,18-31)23(33)22(32)25(14-27,15-28)16-29/h4-13,22-23,27-33H,14-19H2,1-3H3.
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,5-tris(hydroxymethyl)hexane-1,3,4,6-tetrol?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,5-tris(hydroxymethyl)hexane-1,3,4,6-tetrol has a molecular weight of 508.68 g/mol, XLogP of -0.78, 13 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,5-tris(hydroxymethyl)hexane-1,3,4,6-tetrol is sourced from PubChem (CID 70258248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).