(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynonane-1,2-diol

C15H34O3Si — CID 54576109

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

About (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynonane-1,2-diol

(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynonane-1,2-diol (PubChem CID 54576109) has the molecular formula C15H34O3Si and a molecular weight of 290.52 g/mol. Its IUPAC name is (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynonane-1,2-diol.

Molecular Properties

Compound Name(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynonane-1,2-diol
PubChem CID54576109
Molecular FormulaC15H34O3Si
Molecular Weight290.52 g/mol
Exact Mass290.23
IUPAC Name(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynonane-1,2-diol
SMILESCCCCC[C@H](C[C@@H](O)CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O3Si/c1-7-8-9-10-14(11-13(17)12-16)18-19(5,6)15(2,3)4/h13-14,16-17H,7-12H2,1-6H3/t13-,14-/m1/s1
InChIKeyBLVOLRQZPNORPY-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

1-Octanol, 8-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11043515
9-((tert-Butyldimethylsilyl)oxy)nonan-1-ol
CID 14521701
(R)-1-((tert-Butyldimethylsilyl)oxy)-3-(octadecyloxy)propan-2-ol
CID 10790085
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxybutan-2-ol
CID 11362793
(4R)-4-[tert-butyl(dimethyl)silyl]oxynonan-1-ol
CID 54576111
cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol
CID 58012741
cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-ol
CID 58012751
12-[Tert-butyl(dimethyl)silyl]oxydodecan-2-ol
CID 90302960
(1S,2R)-1-trimethylsilyloctane-1,2-diol
CID 10242521
(2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol
CID 10492591
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol
CID 10978745
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 11521515

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynonane-1,2-diol?
The IUPAC name of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynonane-1,2-diol (CID 54576109) is (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynonane-1,2-diol.
What is the SMILES notation for (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynonane-1,2-diol?
The canonical SMILES for (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynonane-1,2-diol is CCCCC[C@H](C[C@@H](O)CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynonane-1,2-diol?
The InChIKey is BLVOLRQZPNORPY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H34O3Si/c1-7-8-9-10-14(11-13(17)12-16)18-19(5,6)15(2,3)4/h13-14,16-17H,7-12H2,1-6H3/t13-,14-/m1/s1.
What are the key properties of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynonane-1,2-diol?
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynonane-1,2-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 (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynonane-1,2-diol is sourced from PubChem (CID 54576109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).