(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol

C12H25F3O3Si — CID 11833579

IUPAC(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)C[C@H](CO)C(F)(F)F
InChIInChI=1S/C12H25F3O3Si/c1-11(2,3)19(4,5)18-8-10(17)6-9(7-16)12(13,14)15/h9-10,16-17H,6-8H2,1-5H3/t9-,10+/m1/s1
InChIKeyLYRJPHQSYCJJAI-ZJUUUORDSA-N
MW302.41 g/mol
LogP2.93
Rot. Bonds6

About (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol

(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol (PubChem CID 11833579) has the molecular formula C12H25F3O3Si and a molecular weight of 302.41 g/mol. Its IUPAC name is (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol.

Molecular Properties

Compound Name(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol
PubChem CID11833579
Molecular FormulaC12H25F3O3Si
Molecular Weight302.41 g/mol
Exact Mass302.15
IUPAC Name(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)C[C@H](CO)C(F)(F)F
InChIInChI=1S/C12H25F3O3Si/c1-11(2,3)19(4,5)18-8-10(17)6-9(7-16)12(13,14)15/h9-10,16-17H,6-8H2,1-5H3/t9-,10+/m1/s1
InChIKeyLYRJPHQSYCJJAI-ZJUUUORDSA-N
XLogP2.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol
CID 23236652
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol
CID 102271148
(2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol
CID 54768092
1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 91309100
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane
CID 57336860
(2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol
CID 10710726
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol?
The IUPAC name of (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol (CID 11833579) is (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol.
What is the SMILES notation for (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol?
The canonical SMILES for (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol is CC(C)(C)[Si](C)(C)OC[C@@H](O)C[C@H](CO)C(F)(F)F.
What is the InChIKey of (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol?
The InChIKey is LYRJPHQSYCJJAI-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H25F3O3Si/c1-11(2,3)19(4,5)18-8-10(17)6-9(7-16)12(13,14)15/h9-10,16-17H,6-8H2,1-5H3/t9-,10+/m1/s1.
What are the key properties of (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol?
(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol has a molecular weight of 302.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol is sourced from PubChem (CID 11833579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).