tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane

C23H32O2Si — CID 101242327

IUPACtert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane
SMILESCOC(/C=C/[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O2Si/c1-23(2,3)26(5,6)25-22(20-15-11-8-12-16-20)18-17-21(24-4)19-13-9-7-10-14-19/h7-18,21-22H,1-6H3/b18-17+/t21?,22-/m0/s1
InChIKeyNLVKBMXRKUNIHO-BUAZYOMISA-N
MW368.59 g/mol
LogP6.69
Rot. Bonds7

About tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane

tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane (PubChem CID 101242327) has the molecular formula C23H32O2Si and a molecular weight of 368.59 g/mol. Its IUPAC name is tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane
PubChem CID101242327
Molecular FormulaC23H32O2Si
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Nametert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane
SMILESCOC(/C=C/[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O2Si/c1-23(2,3)26(5,6)25-22(20-15-11-8-12-16-20)18-17-21(24-4)19-13-9-7-10-14-19/h7-18,21-22H,1-6H3/b18-17+/t21?,22-/m0/s1
InChIKeyNLVKBMXRKUNIHO-BUAZYOMISA-N
XLogP6.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane
CID 100919695
[(E)-1-methoxy-3-phenylprop-2-enyl]benzene
CID 10353588
[(E,1S)-1-methoxybut-2-enyl]benzene
CID 129385395
(3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one
CID 102079562
(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-1-enyl]-2-methylcyclopentan-1-one
CID 11271463
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375
[(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene
CID 164672506
tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane
CID 135009658
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
CID 66693822
1-methoxyprop-2-enylbenzene
CID 11029990
(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol
CID 66573505

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane (CID 101242327) is tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane is COC(/C=C/[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane?
The InChIKey is NLVKBMXRKUNIHO-BUAZYOMISA-N. The full InChI is InChI=1S/C23H32O2Si/c1-23(2,3)26(5,6)25-22(20-15-11-8-12-16-20)18-17-21(24-4)19-13-9-7-10-14-19/h7-18,21-22H,1-6H3/b18-17+/t21?,22-/m0/s1.
What are the key properties of tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane?
tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane has a molecular weight of 368.59 g/mol, XLogP of 6.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane is sourced from PubChem (CID 101242327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).