[(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhexan-2-yl] 2,2-dimethylpropanoate

C18H38O3Si — CID 10042310

IUPAC[(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhexan-2-yl] 2,2-dimethylpropanoate
SMILESCCC[C@@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)C(C)(C)C
InChIInChI=1S/C18H38O3Si/c1-11-12-14(2)15(21-16(19)17(3,4)5)13-20-22(9,10)18(6,7)8/h14-15H,11-13H2,1-10H3/t14-,15+/m1/s1
InChIKeyCSJOJDXZMMHOFJ-CABCVRRESA-N
MW330.59 g/mol
LogP5.40
Rot. Bonds7

About [(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhexan-2-yl] 2,2-dimethylpropanoate

[(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhexan-2-yl] 2,2-dimethylpropanoate (PubChem CID 10042310) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is [(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhexan-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhexan-2-yl] 2,2-dimethylpropanoate
PubChem CID10042310
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Name[(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhexan-2-yl] 2,2-dimethylpropanoate
SMILESCCC[C@@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)C(C)(C)C
InChIInChI=1S/C18H38O3Si/c1-11-12-14(2)15(21-16(19)17(3,4)5)13-20-22(9,10)18(6,7)8/h14-15H,11-13H2,1-10H3/t14-,15+/m1/s1
InChIKeyCSJOJDXZMMHOFJ-CABCVRRESA-N
XLogP5.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhexan-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhexan-2-yl] 2,2-dimethylpropanoate (CID 10042310) is [(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhexan-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhexan-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhexan-2-yl] 2,2-dimethylpropanoate is CCC[C@@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)C(C)(C)C.
What is the InChIKey of [(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhexan-2-yl] 2,2-dimethylpropanoate?
The InChIKey is CSJOJDXZMMHOFJ-CABCVRRESA-N. The full InChI is InChI=1S/C18H38O3Si/c1-11-12-14(2)15(21-16(19)17(3,4)5)13-20-22(9,10)18(6,7)8/h14-15H,11-13H2,1-10H3/t14-,15+/m1/s1.
What are the key properties of [(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhexan-2-yl] 2,2-dimethylpropanoate?
[(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhexan-2-yl] 2,2-dimethylpropanoate has a molecular weight of 330.59 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhexan-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10042310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).