(5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol

C15H34O3Si — CID 101258816

IUPAC(5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol
SMILESC[C@H](CC[C@H](O)CCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O3Si/c1-13(18-19(5,6)15(2,3)4)10-11-14(17)9-7-8-12-16/h13-14,16-17H,7-12H2,1-6H3/t13-,14-/m1/s1
InChIKeyQYIYGGHXBILTAU-ZIAGYGMSSA-N
MW290.52 g/mol
LogP3.70
Rot. Bonds9

About (5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol

(5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol (PubChem CID 101258816) has the molecular formula C15H34O3Si and a molecular weight of 290.52 g/mol. Its IUPAC name is (5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol.

Molecular Properties

Compound Name(5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol
PubChem CID101258816
Molecular FormulaC15H34O3Si
Molecular Weight290.52 g/mol
Exact Mass290.23
IUPAC Name(5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol
SMILESC[C@H](CC[C@H](O)CCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O3Si/c1-13(18-19(5,6)15(2,3)4)10-11-14(17)9-7-8-12-16/h13-14,16-17H,7-12H2,1-6H3/t13-,14-/m1/s1
InChIKeyQYIYGGHXBILTAU-ZIAGYGMSSA-N
XLogP3.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(5R,8S)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol
CID 101258818
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol
CID 71401033
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undecan-6-one
CID 10598768
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol
CID 15605935
[(2R)-7-bromoheptan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11023281
tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
CID 10946949
(3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-amine
CID 88577810
tert-butyl-(4-iodobutan-2-yloxy)-dimethylsilane
CID 11130810
(7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-dimethylphosphoryloctan-2-one
CID 159432713

Frequently Asked Questions

What is the IUPAC name of (5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol?
The IUPAC name of (5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol (CID 101258816) is (5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol.
What is the SMILES notation for (5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol?
The canonical SMILES for (5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol is C[C@H](CC[C@H](O)CCCCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol?
The InChIKey is QYIYGGHXBILTAU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H34O3Si/c1-13(18-19(5,6)15(2,3)4)10-11-14(17)9-7-8-12-16/h13-14,16-17H,7-12H2,1-6H3/t13-,14-/m1/s1.
What are the key properties of (5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol?
(5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol has a molecular weight of 290.52 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol is sourced from PubChem (CID 101258816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).