(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylnonane-1,2-diol

C17H38O3Si — CID 135016311

IUPAC(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylnonane-1,2-diol
SMILESCCCC[C@H](C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO
InChIInChI=1S/C17H38O3Si/c1-9-10-11-13(2)14(3)16(15(19)12-18)20-21(7,8)17(4,5)6/h13-16,18-19H,9-12H2,1-8H3/t13-,14+,15-,16-/m0/s1
InChIKeyBDMYFPTWNZDNKV-FZKCQIBNSA-N
MW318.57 g/mol
LogP4.19
Rot. Bonds9

About (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylnonane-1,2-diol

(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylnonane-1,2-diol (PubChem CID 135016311) has the molecular formula C17H38O3Si and a molecular weight of 318.57 g/mol. Its IUPAC name is (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylnonane-1,2-diol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylnonane-1,2-diol
PubChem CID135016311
Molecular FormulaC17H38O3Si
Molecular Weight318.57 g/mol
Exact Mass318.26
IUPAC Name(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylnonane-1,2-diol
SMILESCCCC[C@H](C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO
InChIInChI=1S/C17H38O3Si/c1-9-10-11-13(2)14(3)16(15(19)12-18)20-21(7,8)17(4,5)6/h13-16,18-19H,9-12H2,1-8H3/t13-,14+,15-,16-/m0/s1
InChIKeyBDMYFPTWNZDNKV-FZKCQIBNSA-N
XLogP4.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.57
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylnonane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylnonane-1,2-diol?
The IUPAC name of (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylnonane-1,2-diol (CID 135016311) is (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylnonane-1,2-diol.
What is the SMILES notation for (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylnonane-1,2-diol?
The canonical SMILES for (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylnonane-1,2-diol is CCCC[C@H](C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO.
What is the InChIKey of (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylnonane-1,2-diol?
The InChIKey is BDMYFPTWNZDNKV-FZKCQIBNSA-N. The full InChI is InChI=1S/C17H38O3Si/c1-9-10-11-13(2)14(3)16(15(19)12-18)20-21(7,8)17(4,5)6/h13-16,18-19H,9-12H2,1-8H3/t13-,14+,15-,16-/m0/s1.
What are the key properties of (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylnonane-1,2-diol?
(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylnonane-1,2-diol has a molecular weight of 318.57 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylnonane-1,2-diol is sourced from PubChem (CID 135016311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).