tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane

C27H32OSi — CID 71605136

IUPACtert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane
SMILESC=C(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C27H32OSi/c1-23(24-16-8-5-9-17-24)15-14-22-28-29(27(2,3)4,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21H,1,14-15,22H2,2-4H3
InChIKeyOAMWJTFXRLLOQX-UHFFFAOYSA-N
MW400.64 g/mol
LogP6.06
Rot. Bonds8

About tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane

tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane (PubChem CID 71605136) has the molecular formula C27H32OSi and a molecular weight of 400.64 g/mol. Its IUPAC name is tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane
PubChem CID71605136
Molecular FormulaC27H32OSi
Molecular Weight400.64 g/mol
Exact Mass400.22
IUPAC Nametert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane
SMILESC=C(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C27H32OSi/c1-23(24-16-8-5-9-17-24)15-14-22-28-29(27(2,3)4,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21H,1,14-15,22H2,2-4H3
InChIKeyOAMWJTFXRLLOQX-UHFFFAOYSA-N
XLogP6.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.64
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal
CID 10665724
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
CID 165343479
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
CID 160977016

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane?
The IUPAC name of tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane (CID 71605136) is tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane.
What is the SMILES notation for tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane?
The canonical SMILES for tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane is C=C(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane?
The InChIKey is OAMWJTFXRLLOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32OSi/c1-23(24-16-8-5-9-17-24)15-14-22-28-29(27(2,3)4,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21H,1,14-15,22H2,2-4H3.
What are the key properties of tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane?
tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane has a molecular weight of 400.64 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane is sourced from PubChem (CID 71605136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).