tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane

C17H26OSi — CID 100919695

IUPACtert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane
SMILESC=C/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H26OSi/c1-7-8-14-16(15-12-10-9-11-13-15)18-19(5,6)17(2,3)4/h7-14,16H,1H2,2-6H3/b14-8+/t16-/m1/s1
InChIKeyPLHGKFLCUQYRCH-FCONWMNKSA-N
MW274.48 g/mol
LogP5.49
Rot. Bonds5

About tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane

tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane (PubChem CID 100919695) has the molecular formula C17H26OSi and a molecular weight of 274.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane
PubChem CID100919695
Molecular FormulaC17H26OSi
Molecular Weight274.48 g/mol
Exact Mass274.18
IUPAC Nametert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane
SMILESC=C/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H26OSi/c1-7-8-14-16(15-12-10-9-11-13-15)18-19(5,6)17(2,3)4/h7-14,16H,1H2,2-6H3/b14-8+/t16-/m1/s1
InChIKeyPLHGKFLCUQYRCH-FCONWMNKSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.48
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane
CID 101242327
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
CID 66693822
[(1S,2E)-1-(methoxymethoxy)penta-2,4-dienyl]benzene
CID 100919694
(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-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane
CID 11364212
(3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one
CID 102079562
tert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane
CID 101244819
(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol
CID 101047793
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol
CID 11545158
tert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane
CID 101227507

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane (CID 100919695) is tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane is C=C/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane?
The InChIKey is PLHGKFLCUQYRCH-FCONWMNKSA-N. The full InChI is InChI=1S/C17H26OSi/c1-7-8-14-16(15-12-10-9-11-13-15)18-19(5,6)17(2,3)4/h7-14,16H,1H2,2-6H3/b14-8+/t16-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane?
tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane has a molecular weight of 274.48 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane is sourced from PubChem (CID 100919695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).