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

C14H28O4Si — CID 69344071

IUPAC[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] methyl carbonate
SMILESCOC(=O)O[C@@H]1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H28O4Si/c1-14(2,3)19(5,6)18-12-9-7-8-11(10-12)17-13(15)16-4/h11-12H,7-10H2,1-6H3/t11-,12+/m1/s1
InChIKeyZUSVCZXENDKBGM-NEPJUHHUSA-N
MW288.46 g/mol
LogP4.10
Rot. Bonds3

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

[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] methyl carbonate (PubChem CID 69344071) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is [(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] methyl carbonate.

Molecular Properties

Compound Name[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] methyl carbonate
PubChem CID69344071
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] methyl carbonate
SMILESCOC(=O)O[C@@H]1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H28O4Si/c1-14(2,3)19(5,6)18-12-9-7-8-11(10-12)17-13(15)16-4/h11-12H,7-10H2,1-6H3/t11-,12+/m1/s1
InChIKeyZUSVCZXENDKBGM-NEPJUHHUSA-N
XLogP4.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
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)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] methyl carbonate?
The IUPAC name of [(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] methyl carbonate (CID 69344071) is [(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] methyl carbonate.
What is the SMILES notation for [(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] methyl carbonate?
The canonical SMILES for [(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] methyl carbonate is COC(=O)O[C@@H]1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] methyl carbonate?
The InChIKey is ZUSVCZXENDKBGM-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-14(2,3)19(5,6)18-12-9-7-8-11(10-12)17-13(15)16-4/h11-12H,7-10H2,1-6H3/t11-,12+/m1/s1.
What are the key properties of [(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] methyl carbonate?
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] methyl carbonate has a molecular weight of 288.46 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] methyl carbonate is sourced from PubChem (CID 69344071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).