[2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate

C16H30O3Si — CID 67640794

IUPAC[2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate
SMILESCC(=O)OC(CO[Si](C)(C)C(C)(C)C)[C@@H]1CC=CCC1
InChIInChI=1S/C16H30O3Si/c1-13(17)19-15(14-10-8-7-9-11-14)12-18-20(5,6)16(2,3)4/h7-8,14-15H,9-12H2,1-6H3/t14-,15?/m1/s1
InChIKeyKKPMRJZFJMUXOB-GICMACPYSA-N
MW298.50 g/mol
LogP4.30
Rot. Bonds5

About [2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate

[2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate (PubChem CID 67640794) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is [2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate.

Molecular Properties

Compound Name[2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate
PubChem CID67640794
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name[2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate
SMILESCC(=O)OC(CO[Si](C)(C)C(C)(C)C)[C@@H]1CC=CCC1
InChIInChI=1S/C16H30O3Si/c1-13(17)19-15(14-10-8-7-9-11-14)12-18-20(5,6)16(2,3)4/h7-8,14-15H,9-12H2,1-6H3/t14-,15?/m1/s1
InChIKeyKKPMRJZFJMUXOB-GICMACPYSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate?
The IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate (CID 67640794) is [2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate.
What is the SMILES notation for [2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate?
The canonical SMILES for [2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate is CC(=O)OC(CO[Si](C)(C)C(C)(C)C)[C@@H]1CC=CCC1.
What is the InChIKey of [2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate?
The InChIKey is KKPMRJZFJMUXOB-GICMACPYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-13(17)19-15(14-10-8-7-9-11-14)12-18-20(5,6)16(2,3)4/h7-8,14-15H,9-12H2,1-6H3/t14-,15?/m1/s1.
What are the key properties of [2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate?
[2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate has a molecular weight of 298.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate is sourced from PubChem (CID 67640794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).