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

C19H44O3Si2 — CID 59913507

IUPAC(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentan-1-ol
SMILESCC(C)(CO)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H44O3Si2/c1-17(2,3)23(9,10)21-14-13-16(19(7,8)15-20)22-24(11,12)18(4,5)6/h16,20H,13-15H2,1-12H3/t16-/m0/s1
InChIKeyLLRWGWNXQBKPQD-INIZCTEOSA-N
MW376.73 g/mol
LogP5.81
Rot. Bonds8

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

(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentan-1-ol (PubChem CID 59913507) has the molecular formula C19H44O3Si2 and a molecular weight of 376.73 g/mol. Its IUPAC name is (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentan-1-ol.

Molecular Properties

Compound Name(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentan-1-ol
PubChem CID59913507
Molecular FormulaC19H44O3Si2
Molecular Weight376.73 g/mol
Exact Mass376.28
IUPAC Name(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentan-1-ol
SMILESCC(C)(CO)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H44O3Si2/c1-17(2,3)23(9,10)21-14-13-16(19(7,8)15-20)22-24(11,12)18(4,5)6/h16,20H,13-15H2,1-12H3/t16-/m0/s1
InChIKeyLLRWGWNXQBKPQD-INIZCTEOSA-N
XLogP5.81
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 ≤ 55.81
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,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol
CID 134943548
(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
(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol
CID 135034831
(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
3-[Ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol
CID 10884632
Trimethylolpropane, 2TBDMS derivative
CID 91726205
(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
(2S,3R,4S)-5,5-dimethyl-2,4-bis(trimethylsilyloxy)hexan-3-ol
CID 11954591
(3R)-4,4-dimethyl-1-trimethylsilylpentane-1,3-diol
CID 12193382

Frequently Asked Questions

What is the IUPAC name of (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentan-1-ol?
The IUPAC name of (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentan-1-ol (CID 59913507) is (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentan-1-ol.
What is the SMILES notation for (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentan-1-ol?
The canonical SMILES for (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentan-1-ol is CC(C)(CO)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentan-1-ol?
The InChIKey is LLRWGWNXQBKPQD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H44O3Si2/c1-17(2,3)23(9,10)21-14-13-16(19(7,8)15-20)22-24(11,12)18(4,5)6/h16,20H,13-15H2,1-12H3/t16-/m0/s1.
What are the key properties of (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentan-1-ol?
(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentan-1-ol has a molecular weight of 376.73 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentan-1-ol is sourced from PubChem (CID 59913507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).