[(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] 2,2-dimethylpropanoate

C17H34O4Si — CID 23245524

IUPAC[(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[C@@H]1C[C@@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H34O4Si/c1-16(2,3)15(19)20-13-9-12(18)10-14(11-13)21-22(7,8)17(4,5)6/h12-14,18H,9-11H2,1-8H3/t12-,13-,14-/m1/s1
InChIKeyUJLPULYPEMHTDP-MGPQQGTHSA-N
MW330.54 g/mol
LogP3.88
Rot. Bonds3

About [(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] 2,2-dimethylpropanoate

[(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] 2,2-dimethylpropanoate (PubChem CID 23245524) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is [(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] 2,2-dimethylpropanoate
PubChem CID23245524
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name[(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[C@@H]1C[C@@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H34O4Si/c1-16(2,3)15(19)20-13-9-12(18)10-14(11-13)21-22(7,8)17(4,5)6/h12-14,18H,9-11H2,1-8H3/t12-,13-,14-/m1/s1
InChIKeyUJLPULYPEMHTDP-MGPQQGTHSA-N
XLogP3.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] 2,2-dimethylpropanoate?
The IUPAC name of [(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] 2,2-dimethylpropanoate (CID 23245524) is [(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)O[C@@H]1C[C@@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] 2,2-dimethylpropanoate?
The InChIKey is UJLPULYPEMHTDP-MGPQQGTHSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-16(2,3)15(19)20-13-9-12(18)10-14(11-13)21-22(7,8)17(4,5)6/h12-14,18H,9-11H2,1-8H3/t12-,13-,14-/m1/s1.
What are the key properties of [(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] 2,2-dimethylpropanoate?
[(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] 2,2-dimethylpropanoate has a molecular weight of 330.54 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 23245524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).