[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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Related Compounds

[(1R)-1-[(2S,3aR,5R,6aR)-5-[(1R)-1-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] acetate
CID 102182234
[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate
CID 140781546
tert-butyl-(cyclohex-3-en-1-ylmethoxy)-dimethylsilane
CID 11229886
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
[(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate
CID 10812763
[(2R,3S)-3-bromo-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
CID 23254785
methyl 3-[2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,2-dimethylpropanoate
CID 178027599
cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate
CID 167430541
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid
CID 90010746
[(1R,2S)-2-[(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]cyclobutyl]methyl acetate
CID 101143952
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-one
CID 11044870

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).