(2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol

C19H42O3Si — CID 54768092

IUPAC(2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)CO
InChIInChI=1S/C19H42O3Si/c1-14(11-16(3)18(21)17(4)12-20)10-15(2)13-22-23(8,9)19(5,6)7/h14-18,20-21H,10-13H2,1-9H3/t14-,15+,16-,17-,18+/m0/s1
InChIKeyFTBPUVABFLZBGS-FLXSYLCISA-N
MW346.63 g/mol
LogP4.69
Rot. Bonds10

About (2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol

(2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol (PubChem CID 54768092) has the molecular formula C19H42O3Si and a molecular weight of 346.63 g/mol. Its IUPAC name is (2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol.

Molecular Properties

Compound Name(2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol
PubChem CID54768092
Molecular FormulaC19H42O3Si
Molecular Weight346.63 g/mol
Exact Mass346.29
IUPAC Name(2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)CO
InChIInChI=1S/C19H42O3Si/c1-14(11-16(3)18(21)17(4)12-20)10-15(2)13-22-23(8,9)19(5,6)7/h14-18,20-21H,10-13H2,1-9H3/t14-,15+,16-,17-,18+/m0/s1
InChIKeyFTBPUVABFLZBGS-FLXSYLCISA-N
XLogP4.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.63
LogP ≤ 54.69
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

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
tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane
CID 71713685
(3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol
CID 134979331
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
CID 19737479
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol
CID 11833579
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol?
The IUPAC name of (2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol (CID 54768092) is (2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol.
What is the SMILES notation for (2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol?
The canonical SMILES for (2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol is C[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)CO.
What is the InChIKey of (2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol?
The InChIKey is FTBPUVABFLZBGS-FLXSYLCISA-N. The full InChI is InChI=1S/C19H42O3Si/c1-14(11-16(3)18(21)17(4)12-20)10-15(2)13-22-23(8,9)19(5,6)7/h14-18,20-21H,10-13H2,1-9H3/t14-,15+,16-,17-,18+/m0/s1.
What are the key properties of (2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol?
(2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol has a molecular weight of 346.63 g/mol, XLogP of 4.69, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol is sourced from PubChem (CID 54768092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).