(2R,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexan-1-ol

C24H53F3O4Si3 — CID 11570237

IUPAC(2R,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(F)(F)F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H53F3O4Si3/c1-21(2,3)32(10,11)29-18(19(17-28)30-33(12,13)22(4,5)6)16-20(24(25,26)27)31-34(14,15)23(7,8)9/h18-20,28H,16-17H2,1-15H3/t18-,19-,20-/m1/s1
InChIKeyYCEOUZVJXMWQKT-VAMGGRTRSA-N
MW546.94 g/mol
LogP8.10
Rot. Bonds10

About (2R,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexan-1-ol

(2R,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexan-1-ol (PubChem CID 11570237) has the molecular formula C24H53F3O4Si3 and a molecular weight of 546.94 g/mol. Its IUPAC name is (2R,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexan-1-ol.

Molecular Properties

Compound Name(2R,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexan-1-ol
PubChem CID11570237
Molecular FormulaC24H53F3O4Si3
Molecular Weight546.94 g/mol
Exact Mass546.32
IUPAC Name(2R,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(F)(F)F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H53F3O4Si3/c1-21(2,3)32(10,11)29-18(19(17-28)30-33(12,13)22(4,5)6)16-20(24(25,26)27)31-34(14,15)23(7,8)9/h18-20,28H,16-17H2,1-15H3/t18-,19-,20-/m1/s1
InChIKeyYCEOUZVJXMWQKT-VAMGGRTRSA-N
XLogP8.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.94
LogP ≤ 58.10
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,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexan-1-ol?
The IUPAC name of (2R,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexan-1-ol (CID 11570237) is (2R,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexan-1-ol.
What is the SMILES notation for (2R,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexan-1-ol?
The canonical SMILES for (2R,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexan-1-ol is CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(F)(F)F)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexan-1-ol?
The InChIKey is YCEOUZVJXMWQKT-VAMGGRTRSA-N. The full InChI is InChI=1S/C24H53F3O4Si3/c1-21(2,3)32(10,11)29-18(19(17-28)30-33(12,13)22(4,5)6)16-20(24(25,26)27)31-34(14,15)23(7,8)9/h18-20,28H,16-17H2,1-15H3/t18-,19-,20-/m1/s1.
What are the key properties of (2R,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexan-1-ol?
(2R,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexan-1-ol has a molecular weight of 546.94 g/mol, XLogP of 8.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexan-1-ol is sourced from PubChem (CID 11570237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).