[(1R,3R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate

C16H30O5Si — CID 23245526

IUPAC[(1R,3R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
SMILESCC(=O)O[C@H]1CC(O[Si](C)(C)C(C)(C)C)C[C@H](OC(C)=O)C1
InChIInChI=1S/C16H30O5Si/c1-11(17)19-13-8-14(20-12(2)18)10-15(9-13)21-22(6,7)16(3,4)5/h13-15H,8-10H2,1-7H3/t13-,14-/m1/s1
InChIKeyQTMOPNNKKFVITK-ZIAGYGMSSA-N
MW330.50 g/mol
LogP3.42
Rot. Bonds4

About [(1R,3R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate

[(1R,3R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate (PubChem CID 23245526) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is [(1R,3R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate.

Molecular Properties

Compound Name[(1R,3R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
PubChem CID23245526
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name[(1R,3R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
SMILESCC(=O)O[C@H]1CC(O[Si](C)(C)C(C)(C)C)C[C@H](OC(C)=O)C1
InChIInChI=1S/C16H30O5Si/c1-11(17)19-13-8-14(20-12(2)18)10-15(9-13)21-22(6,7)16(3,4)5/h13-15H,8-10H2,1-7H3/t13-,14-/m1/s1
InChIKeyQTMOPNNKKFVITK-ZIAGYGMSSA-N
XLogP3.42
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate?
The IUPAC name of [(1R,3R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate (CID 23245526) is [(1R,3R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate.
What is the SMILES notation for [(1R,3R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate?
The canonical SMILES for [(1R,3R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate is CC(=O)O[C@H]1CC(O[Si](C)(C)C(C)(C)C)C[C@H](OC(C)=O)C1.
What is the InChIKey of [(1R,3R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate?
The InChIKey is QTMOPNNKKFVITK-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-11(17)19-13-8-14(20-12(2)18)10-15(9-13)21-22(6,7)16(3,4)5/h13-15H,8-10H2,1-7H3/t13-,14-/m1/s1.
What are the key properties of [(1R,3R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate?
[(1R,3R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate has a molecular weight of 330.50 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate is sourced from PubChem (CID 23245526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).