tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane

C18H30OSi — CID 134979892

IUPACtert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane
SMILESC/C(=C\[C@H](C)CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30OSi/c1-15(14-19-20(6,7)18(3,4)5)13-16(2)17-11-9-8-10-12-17/h8-13,15H,14H2,1-7H3/b16-13+/t15-/m0/s1
InChIKeyUEINACVKLLWFSZ-XERWBJCMSA-N
MW290.52 g/mol
LogP5.75
Rot. Bonds5

About tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane

tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane (PubChem CID 134979892) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane
PubChem CID134979892
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Nametert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane
SMILESC/C(=C\[C@H](C)CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30OSi/c1-15(14-19-20(6,7)18(3,4)5)13-16(2)17-11-9-8-10-12-17/h8-13,15H,14H2,1-7H3/b16-13+/t15-/m0/s1
InChIKeyUEINACVKLLWFSZ-XERWBJCMSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.52
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methylhex-2-en-2-ylbenzene
CID 76543432
tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane
CID 141099859
[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl] benzoate
CID 100980037
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
tert-butyl-dimethyl-(2-methyl-1-phenylprop-1-enoxy)silane
CID 11391374
(Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol
CID 11598732
tert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane
CID 14710921
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate
CID 163284398
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
(E,2S,3R)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-1-phenylmethoxyhept-4-en-3-ol
CID 101339682
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
CID 101470111

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane (CID 134979892) is tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane is C/C(=C\[C@H](C)CO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane?
The InChIKey is UEINACVKLLWFSZ-XERWBJCMSA-N. The full InChI is InChI=1S/C18H30OSi/c1-15(14-19-20(6,7)18(3,4)5)13-16(2)17-11-9-8-10-12-17/h8-13,15H,14H2,1-7H3/b16-13+/t15-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane?
tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane has a molecular weight of 290.52 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane is sourced from PubChem (CID 134979892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).