(2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol

C19H44O3Si2 — CID 91394804

IUPAC(2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
SMILESC[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H44O3Si2/c1-15(13-20)17(22-24(11,12)19(6,7)8)16(2)14-21-23(9,10)18(3,4)5/h15-17,20H,13-14H2,1-12H3/t15-,16-,17-/m0/s1
InChIKeyKKIRRYAMSYGFBP-ULQDDVLXSA-N
MW376.73 g/mol
LogP5.66
Rot. Bonds8

About (2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol

(2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol (PubChem CID 91394804) has the molecular formula C19H44O3Si2 and a molecular weight of 376.73 g/mol. Its IUPAC name is (2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name(2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
PubChem CID91394804
Molecular FormulaC19H44O3Si2
Molecular Weight376.73 g/mol
Exact Mass376.28
IUPAC Name(2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
SMILESC[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H44O3Si2/c1-15(13-20)17(22-24(11,12)19(6,7)8)16(2)14-21-23(9,10)18(3,4)5/h15-17,20H,13-14H2,1-12H3/t15-,16-,17-/m0/s1
InChIKeyKKIRRYAMSYGFBP-ULQDDVLXSA-N
XLogP5.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.73
LogP ≤ 55.66
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

3-(tert-Butyldimethylsilanyloxy)pentane-1,5-diol
CID 10868252
(2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol
CID 134943548
(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol
CID 10444620
5-((t-Butyldimethylsilyl)oxy)-2,4-dimethylpentan-1-ol
CID 13596692
(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentan-1-ol
CID 11035844
(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol
CID 135034831
(2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5-methylhexan-2-ol
CID 10870068
3-[Ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol
CID 10884632
(2R,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5-methylhexan-2-ol
CID 10968334
(2S,4R)-2,4-Dimethyl-5-(triisopropylsilyloxy)pentan-1-ol
CID 9543584
(2R,4S)-5-((tert-Butyldimethylsilyl)oxy)-2,4-dimethylpentan-1-ol
CID 10060505
(2R,4R)-5-((tert-butyldimethylsilyl)oxy)-2,4-dimethylpentan-1-ol
CID 10634197

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol?
The IUPAC name of (2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol (CID 91394804) is (2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol.
What is the SMILES notation for (2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol?
The canonical SMILES for (2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol is C[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol?
The InChIKey is KKIRRYAMSYGFBP-ULQDDVLXSA-N. The full InChI is InChI=1S/C19H44O3Si2/c1-15(13-20)17(22-24(11,12)19(6,7)8)16(2)14-21-23(9,10)18(3,4)5/h15-17,20H,13-14H2,1-12H3/t15-,16-,17-/m0/s1.
What are the key properties of (2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol?
(2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol has a molecular weight of 376.73 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol is sourced from PubChem (CID 91394804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).