(2S,4S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloctan-1-ol

C16H36O2Si — CID 162397864

IUPAC(2S,4S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloctan-1-ol
SMILESC[C@H](CO)C[C@@H](C)CC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-13(11-14(2)12-17)9-10-15(3)18-19(7,8)16(4,5)6/h13-15,17H,9-12H2,1-8H3/t13-,14-,15+/m0/s1
InChIKeyCVGXZPXMLMVMAA-SOUVJXGZSA-N
MW288.55 g/mol
LogP4.83
Rot. Bonds8

About (2S,4S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloctan-1-ol

(2S,4S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloctan-1-ol (PubChem CID 162397864) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is (2S,4S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloctan-1-ol.

Molecular Properties

Compound Name(2S,4S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloctan-1-ol
PubChem CID162397864
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Name(2S,4S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloctan-1-ol
SMILESC[C@H](CO)C[C@@H](C)CC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-13(11-14(2)12-17)9-10-15(3)18-19(7,8)16(4,5)6/h13-15,17H,9-12H2,1-8H3/t13-,14-,15+/m0/s1
InChIKeyCVGXZPXMLMVMAA-SOUVJXGZSA-N
XLogP4.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.55
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloctan-1-ol?
The IUPAC name of (2S,4S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloctan-1-ol (CID 162397864) is (2S,4S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloctan-1-ol.
What is the SMILES notation for (2S,4S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloctan-1-ol?
The canonical SMILES for (2S,4S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloctan-1-ol is C[C@H](CO)C[C@@H](C)CC[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,4S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloctan-1-ol?
The InChIKey is CVGXZPXMLMVMAA-SOUVJXGZSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-13(11-14(2)12-17)9-10-15(3)18-19(7,8)16(4,5)6/h13-15,17H,9-12H2,1-8H3/t13-,14-,15+/m0/s1.
What are the key properties of (2S,4S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloctan-1-ol?
(2S,4S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloctan-1-ol has a molecular weight of 288.55 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloctan-1-ol is sourced from PubChem (CID 162397864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).