(3S,5S)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol

C15H33FO2Si — CID 11044552

IUPAC(3S,5S)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol
SMILESCC(C)[C@@H](O)C[C@H](C)O[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H33FO2Si/c1-11(2)13(17)10-12(3)18-19(16,14(4,5)6)15(7,8)9/h11-13,17H,10H2,1-9H3/t12-,13-/m0/s1
InChIKeyZRHZIATWXUBQBR-STQMWFEESA-N
MW292.51 g/mol
LogP4.81
Rot. Bonds5

About (3S,5S)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol

(3S,5S)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol (PubChem CID 11044552) has the molecular formula C15H33FO2Si and a molecular weight of 292.51 g/mol. Its IUPAC name is (3S,5S)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol
PubChem CID11044552
Molecular FormulaC15H33FO2Si
Molecular Weight292.51 g/mol
Exact Mass292.22
IUPAC Name(3S,5S)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol
SMILESCC(C)[C@@H](O)C[C@H](C)O[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H33FO2Si/c1-11(2)13(17)10-12(3)18-19(16,14(4,5)6)15(7,8)9/h11-13,17H,10H2,1-9H3/t12-,13-/m0/s1
InChIKeyZRHZIATWXUBQBR-STQMWFEESA-N
XLogP4.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', '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
(2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5-methylhexan-2-ol
CID 10870068
(2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol
CID 10870508
(2R,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol
CID 10881343
(2R,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5-methylhexan-2-ol
CID 10968334
5-Methyl-1-trimethylsilylhexane-1,3-diol
CID 5247325
4-[Tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol
CID 11107222
(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
(2R,3R)-3-[(tert-Butyldimethylsilyl)oxy]-2-methylpentan-1-ol
CID 14590718
(2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol
CID 102278787

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol?
The IUPAC name of (3S,5S)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol (CID 11044552) is (3S,5S)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol.
What is the SMILES notation for (3S,5S)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol?
The canonical SMILES for (3S,5S)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol is CC(C)[C@@H](O)C[C@H](C)O[Si](F)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of (3S,5S)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol?
The InChIKey is ZRHZIATWXUBQBR-STQMWFEESA-N. The full InChI is InChI=1S/C15H33FO2Si/c1-11(2)13(17)10-12(3)18-19(16,14(4,5)6)15(7,8)9/h11-13,17H,10H2,1-9H3/t12-,13-/m0/s1.
What are the key properties of (3S,5S)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol?
(3S,5S)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol has a molecular weight of 292.51 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol is sourced from PubChem (CID 11044552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).