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

C14H28O4Si — CID 11289225

IUPAC[(1R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H28O4Si/c1-10(15)17-12-7-11(16)8-13(9-12)18-19(5,6)14(2,3)4/h11-13,16H,7-9H2,1-6H3/t11-,12+,13-/m0/s1
InChIKeyHQZZZBAXPMRXNA-XQQFMLRXSA-N
MW288.46 g/mol
LogP2.85
Rot. Bonds3

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

[(1R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate (PubChem CID 11289225) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is [(1R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate.

Molecular Properties

Compound Name[(1R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate
PubChem CID11289225
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name[(1R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H28O4Si/c1-10(15)17-12-7-11(16)8-13(9-12)18-19(5,6)14(2,3)4/h11-13,16H,7-9H2,1-6H3/t11-,12+,13-/m0/s1
InChIKeyHQZZZBAXPMRXNA-XQQFMLRXSA-N
XLogP2.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.85
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,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate?
The IUPAC name of [(1R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate (CID 11289225) is [(1R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate.
What is the SMILES notation for [(1R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate?
The canonical SMILES for [(1R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate is CC(=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,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate?
The InChIKey is HQZZZBAXPMRXNA-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-10(15)17-12-7-11(16)8-13(9-12)18-19(5,6)14(2,3)4/h11-13,16H,7-9H2,1-6H3/t11-,12+,13-/m0/s1.
What are the key properties of [(1R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate?
[(1R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate has a molecular weight of 288.46 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate is sourced from PubChem (CID 11289225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).