(2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol

C16H35FO2Si — CID 10870508

IUPAC(2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol
SMILESC[C@H](O)C[C@H](O[Si](F)(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H35FO2Si/c1-12(18)11-13(14(2,3)4)19-20(17,15(5,6)7)16(8,9)10/h12-13,18H,11H2,1-10H3/t12-,13-/m0/s1
InChIKeyQUCOQPXFSFXQPD-STQMWFEESA-N
MW306.54 g/mol
LogP5.20
Rot. Bonds4

About (2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol

(2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol (PubChem CID 10870508) has the molecular formula C16H35FO2Si and a molecular weight of 306.54 g/mol. Its IUPAC name is (2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol.

Molecular Properties

Compound Name(2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol
PubChem CID10870508
Molecular FormulaC16H35FO2Si
Molecular Weight306.54 g/mol
Exact Mass306.24
IUPAC Name(2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol
SMILESC[C@H](O)C[C@H](O[Si](F)(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H35FO2Si/c1-12(18)11-13(14(2,3)4)19-20(17,15(5,6)7)16(8,9)10/h12-13,18H,11H2,1-10H3/t12-,13-/m0/s1
InChIKeyQUCOQPXFSFXQPD-STQMWFEESA-N
XLogP5.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 55.20
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,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5-methylhexan-2-ol
CID 10870068
(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
(3R)-4,4-dimethyl-1-trimethylsilylpentane-1,3-diol
CID 12193382
4,4-Dimethyl-1-trimethylsilylpentane-1,3-diol
CID 86069072
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol
CID 134903440
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol
CID 134978901
(3S,5R)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol
CID 10902436
(3S,5S)-5-[ditert-butyl(fluoro)silyl]oxy-2-methylhexan-3-ol
CID 11044552
1-[[Dimethyl(propyl)silyl]oxy-dimethylsilyl]-5,5-dimethylhexan-3-ol
CID 53756770
CID 54325145
CID 54325145
(4R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexane-2,4-diol
CID 57931500

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol?
The IUPAC name of (2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol (CID 10870508) is (2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol.
What is the SMILES notation for (2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol?
The canonical SMILES for (2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol is C[C@H](O)C[C@H](O[Si](F)(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol?
The InChIKey is QUCOQPXFSFXQPD-STQMWFEESA-N. The full InChI is InChI=1S/C16H35FO2Si/c1-12(18)11-13(14(2,3)4)19-20(17,15(5,6)7)16(8,9)10/h12-13,18H,11H2,1-10H3/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol?
(2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol has a molecular weight of 306.54 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol is sourced from PubChem (CID 10870508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).