[(Z,1R)-2-(cyclohexylmethyl)-1-phenylbut-2-enoxy]-triethylsilane

C23H38OSi — CID 11473834

IUPAC[(Z,1R)-2-(cyclohexylmethyl)-1-phenylbut-2-enoxy]-triethylsilane
SMILESC/C=C(/CC1CCCCC1)[C@@H](O[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C23H38OSi/c1-5-21(19-20-15-11-9-12-16-20)23(22-17-13-10-14-18-22)24-25(6-2,7-3)8-4/h5,10,13-14,17-18,20,23H,6-9,11-12,15-16,19H2,1-4H3/b21-5-/t23-/m1/s1
InChIKeyAAKCGADDPUZNLC-HXZUVSCCSA-N
MW358.64 g/mol
LogP7.67
Rot. Bonds9

About [(Z,1R)-2-(cyclohexylmethyl)-1-phenylbut-2-enoxy]-triethylsilane

[(Z,1R)-2-(cyclohexylmethyl)-1-phenylbut-2-enoxy]-triethylsilane (PubChem CID 11473834) has the molecular formula C23H38OSi and a molecular weight of 358.64 g/mol. Its IUPAC name is [(Z,1R)-2-(cyclohexylmethyl)-1-phenylbut-2-enoxy]-triethylsilane.

Molecular Properties

Compound Name[(Z,1R)-2-(cyclohexylmethyl)-1-phenylbut-2-enoxy]-triethylsilane
PubChem CID11473834
Molecular FormulaC23H38OSi
Molecular Weight358.64 g/mol
Exact Mass358.27
IUPAC Name[(Z,1R)-2-(cyclohexylmethyl)-1-phenylbut-2-enoxy]-triethylsilane
SMILESC/C=C(/CC1CCCCC1)[C@@H](O[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C23H38OSi/c1-5-21(19-20-15-11-9-12-16-20)23(22-17-13-10-14-18-22)24-25(6-2,7-3)8-4/h5,10,13-14,17-18,20,23H,6-9,11-12,15-16,19H2,1-4H3/b21-5-/t23-/m1/s1
InChIKeyAAKCGADDPUZNLC-HXZUVSCCSA-N
XLogP7.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-cyclohexyl-4-methyl-3-phenylhexan-2-one
CID 114967641
2-(cyclohexylmethoxy)-1-phenylbutan-1-ol
CID 62383401
[1-(cyclohexylmethylperoxy)-2-methylbutyl]benzene
CID 58031035
[(1S,2R)-1-cyclohexyl-2-[dimethyl(phenyl)silyl]but-3-enoxy]-triethylsilane
CID 135063038
N-(cyclopentylmethyl)-2,2-diphenylethanamine
CID 107292721
(2-cyclopentyl-1-phenylethyl)benzene
CID 138978826
(3S)-3-phenyl-3-triethylsilyloxypropanal
CID 10923425
1-cyclohexylpentan-2-ylbenzene
CID 139744385
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
cyclohexylmethyl (2S)-2-phenylpropanoate
CID 134967383
2-(cyclohexylmethoxy)-1-phenylpropan-1-ol
CID 62383236
N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine
CID 43734674

Frequently Asked Questions

What is the IUPAC name of [(Z,1R)-2-(cyclohexylmethyl)-1-phenylbut-2-enoxy]-triethylsilane?
The IUPAC name of [(Z,1R)-2-(cyclohexylmethyl)-1-phenylbut-2-enoxy]-triethylsilane (CID 11473834) is [(Z,1R)-2-(cyclohexylmethyl)-1-phenylbut-2-enoxy]-triethylsilane.
What is the SMILES notation for [(Z,1R)-2-(cyclohexylmethyl)-1-phenylbut-2-enoxy]-triethylsilane?
The canonical SMILES for [(Z,1R)-2-(cyclohexylmethyl)-1-phenylbut-2-enoxy]-triethylsilane is C/C=C(/CC1CCCCC1)[C@@H](O[Si](CC)(CC)CC)c1ccccc1.
What is the InChIKey of [(Z,1R)-2-(cyclohexylmethyl)-1-phenylbut-2-enoxy]-triethylsilane?
The InChIKey is AAKCGADDPUZNLC-HXZUVSCCSA-N. The full InChI is InChI=1S/C23H38OSi/c1-5-21(19-20-15-11-9-12-16-20)23(22-17-13-10-14-18-22)24-25(6-2,7-3)8-4/h5,10,13-14,17-18,20,23H,6-9,11-12,15-16,19H2,1-4H3/b21-5-/t23-/m1/s1.
What are the key properties of [(Z,1R)-2-(cyclohexylmethyl)-1-phenylbut-2-enoxy]-triethylsilane?
[(Z,1R)-2-(cyclohexylmethyl)-1-phenylbut-2-enoxy]-triethylsilane has a molecular weight of 358.64 g/mol, XLogP of 7.67, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,1R)-2-(cyclohexylmethyl)-1-phenylbut-2-enoxy]-triethylsilane is sourced from PubChem (CID 11473834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).