[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate

C14H28O3Si — CID 59890638

IUPAC[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
SMILESCC(=O)O[C@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H28O3Si/c1-11(15)16-12-8-7-9-13(10-12)17-18(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3/t12-,13+/m0/s1
InChIKeyLZULYTSZJXUZQR-QWHCGFSZSA-N
MW272.46 g/mol
LogP3.88
Rot. Bonds3

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

[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate (PubChem CID 59890638) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is [(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate.

Molecular Properties

Compound Name[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
PubChem CID59890638
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
SMILESCC(=O)O[C@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H28O3Si/c1-11(15)16-12-8-7-9-13(10-12)17-18(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3/t12-,13+/m0/s1
InChIKeyLZULYTSZJXUZQR-QWHCGFSZSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.88
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 [(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate?
The IUPAC name of [(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate (CID 59890638) is [(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate.
What is the SMILES notation for [(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate?
The canonical SMILES for [(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate is CC(=O)O[C@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate?
The InChIKey is LZULYTSZJXUZQR-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-11(15)16-12-8-7-9-13(10-12)17-18(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3/t12-,13+/m0/s1.
What are the key properties of [(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate?
[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate has a molecular weight of 272.46 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate is sourced from PubChem (CID 59890638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).