tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane

C17H28OSi — CID 154488375

IUPACtert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)C(C)c1ccccc1
InChIInChI=1S/C17H28OSi/c1-8-16(18-19(6,7)17(3,4)5)14(2)15-12-10-9-11-13-15/h8-14,16H,1H2,2-7H3/t14?,16-/m0/s1
InChIKeyQJFGOHDRHJHTBJ-WMCAAGNKSA-N
MW276.50 g/mol
LogP5.37
Rot. Bonds5

About tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane

tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane (PubChem CID 154488375) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
PubChem CID154488375
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Nametert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)C(C)c1ccccc1
InChIInChI=1S/C17H28OSi/c1-8-16(18-19(6,7)17(3,4)5)14(2)15-12-10-9-11-13-15/h8-14,16H,1H2,2-7H3/t14?,16-/m0/s1
InChIKeyQJFGOHDRHJHTBJ-WMCAAGNKSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.50
LogP ≤ 55.37
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-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
CID 66693822
tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane
CID 100919695
tert-butyl-dimethyl-[(3S,4S)-4-phenylmethoxypent-1-en-3-yl]oxysilane
CID 138976638
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
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
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane
CID 101242327
(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine
CID 122223185
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol
CID 11545158

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane (CID 154488375) is tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane is C=C[C@H](O[Si](C)(C)C(C)(C)C)C(C)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane?
The InChIKey is QJFGOHDRHJHTBJ-WMCAAGNKSA-N. The full InChI is InChI=1S/C17H28OSi/c1-8-16(18-19(6,7)17(3,4)5)14(2)15-12-10-9-11-13-15/h8-14,16H,1H2,2-7H3/t14?,16-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane has a molecular weight of 276.50 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane is sourced from PubChem (CID 154488375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).