(2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol

C18H39F3O3Si2 — CID 134943548

IUPAC(2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)C(F)(F)F
InChIInChI=1S/C18H39F3O3Si2/c1-16(2,3)25(7,8)23-12-11-15(14(13-22)18(19,20)21)24-26(9,10)17(4,5)6/h14-15,22H,11-13H2,1-10H3/t14-,15+/m0/s1
InChIKeyHFUISAYJZARMQM-LSDHHAIUSA-N
MW416.67 g/mol
LogP5.96
Rot. Bonds8

About (2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol

(2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol (PubChem CID 134943548) has the molecular formula C18H39F3O3Si2 and a molecular weight of 416.67 g/mol. Its IUPAC name is (2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name(2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol
PubChem CID134943548
Molecular FormulaC18H39F3O3Si2
Molecular Weight416.67 g/mol
Exact Mass416.24
IUPAC Name(2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)C(F)(F)F
InChIInChI=1S/C18H39F3O3Si2/c1-16(2,3)25(7,8)23-12-11-15(14(13-22)18(19,20)21)24-26(9,10)17(4,5)6/h14-15,22H,11-13H2,1-10H3/t14-,15+/m0/s1
InChIKeyHFUISAYJZARMQM-LSDHHAIUSA-N
XLogP5.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.67
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentan-1-ol
CID 11035844
(2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
CID 91394804
3-[Ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol
CID 10884632
(2S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol
CID 11033998
(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol
CID 11833579
(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol
CID 11111243
(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentan-1-ol
CID 11302959
3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
CID 21923432
(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentan-1-ol
CID 59913507
(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol
CID 87142131
(2R,3R,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
CID 87286984
(3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
CID 87813816

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol?
The IUPAC name of (2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol (CID 134943548) is (2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for (2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for (2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol is CC(C)(C)[Si](C)(C)OCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)C(F)(F)F.
What is the InChIKey of (2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol?
The InChIKey is HFUISAYJZARMQM-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H39F3O3Si2/c1-16(2,3)25(7,8)23-12-11-15(14(13-22)18(19,20)21)24-26(9,10)17(4,5)6/h14-15,22H,11-13H2,1-10H3/t14-,15+/m0/s1.
What are the key properties of (2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol?
(2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol has a molecular weight of 416.67 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 134943548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).