2-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]prop-2-enyl benzoate

C23H36O3Si — CID 11014594

IUPAC2-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]prop-2-enyl benzoate
SMILESC=C(COC(=O)c1ccccc1)C(O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C23H36O3Si/c1-18(17-25-22(24)20-15-11-8-12-16-20)21(19-13-9-7-10-14-19)26-27(5,6)23(2,3)4/h8,11-12,15-16,19,21H,1,7,9-10,13-14,17H2,2-6H3
InChIKeyMJXOUVVFSLZLHZ-UHFFFAOYSA-N
MW388.62 g/mol
LogP6.37
Rot. Bonds7

About 2-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]prop-2-enyl benzoate

2-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]prop-2-enyl benzoate (PubChem CID 11014594) has the molecular formula C23H36O3Si and a molecular weight of 388.62 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]prop-2-enyl benzoate.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]prop-2-enyl benzoate
PubChem CID11014594
Molecular FormulaC23H36O3Si
Molecular Weight388.62 g/mol
Exact Mass388.24
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]prop-2-enyl benzoate
SMILESC=C(COC(=O)c1ccccc1)C(O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C23H36O3Si/c1-18(17-25-22(24)20-15-11-8-12-16-20)21(19-13-9-7-10-14-19)26-27(5,6)23(2,3)4/h8,11-12,15-16,19,21H,1,7,9-10,13-14,17H2,2-6H3
InChIKeyMJXOUVVFSLZLHZ-UHFFFAOYSA-N
XLogP6.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.62
LogP ≤ 56.37
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

(1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol
CID 10643161
(2-bromo-2-cyclohexylethyl) benzoate
CID 71513047
[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate
CID 177439885
[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutyl] benzoate
CID 11438668
[3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate
CID 11163883
2-[(2S,3S,6R)-6-[(E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-3-methyloxan-2-yl]ethyl benzoate
CID 11166757
(1-cyclohexyl-2-hydroxyethyl) benzoate
CID 85344980
[(2R)-1-(cyclohexylamino)propan-2-yl] benzoate
CID 57202485
[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate
CID 163284398
[(1R)-1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] benzoate
CID 129389441
4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]but-2-ynyl benzoate
CID 11069440
3-benzoyloxy-3-cyclohexylpropanoic acid
CID 170239924

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]prop-2-enyl benzoate?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]prop-2-enyl benzoate (CID 11014594) is 2-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]prop-2-enyl benzoate.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]prop-2-enyl benzoate?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]prop-2-enyl benzoate is C=C(COC(=O)c1ccccc1)C(O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]prop-2-enyl benzoate?
The InChIKey is MJXOUVVFSLZLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O3Si/c1-18(17-25-22(24)20-15-11-8-12-16-20)21(19-13-9-7-10-14-19)26-27(5,6)23(2,3)4/h8,11-12,15-16,19,21H,1,7,9-10,13-14,17H2,2-6H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]prop-2-enyl benzoate?
2-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]prop-2-enyl benzoate has a molecular weight of 388.62 g/mol, XLogP of 6.37, 7 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-cyclohexylmethyl]prop-2-enyl benzoate is sourced from PubChem (CID 11014594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).