tert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane

C31H38OSi — CID 15321594

IUPACtert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane
SMILESC=C(C)CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)/C(C)=C/Cc1ccccc1
InChIInChI=1S/C31H38OSi/c1-25(2)24-30(26(3)22-23-27-16-10-7-11-17-27)32-33(31(4,5)6,28-18-12-8-13-19-28)29-20-14-9-15-21-29/h7-22,30H,1,23-24H2,2-6H3/b26-22+
InChIKeyJDBOANBJFPVKOI-XTCLZLMSSA-N
MW454.73 g/mol
LogP7.09
Rot. Bonds9

About tert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane

tert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane (PubChem CID 15321594) has the molecular formula C31H38OSi and a molecular weight of 454.73 g/mol. Its IUPAC name is tert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane
PubChem CID15321594
Molecular FormulaC31H38OSi
Molecular Weight454.73 g/mol
Exact Mass454.27
IUPAC Nametert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane
SMILESC=C(C)CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)/C(C)=C/Cc1ccccc1
InChIInChI=1S/C31H38OSi/c1-25(2)24-30(26(3)22-23-27-16-10-7-11-17-27)32-33(31(4,5)6,28-18-12-8-13-19-28)29-20-14-9-15-21-29/h7-22,30H,1,23-24H2,2-6H3/b26-22+
InChIKeyJDBOANBJFPVKOI-XTCLZLMSSA-N
XLogP7.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.73
LogP ≤ 57.09
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

tert-butyl-[(3R,4R,5E)-3,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane
CID 15321592
(3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane
CID 157329912
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane
CID 134833176
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate
CID 11742789
triphenyl-[(Z)-4-phenylbut-2-en-2-yl]oxysilane
CID 101425357
tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane
CID 57341570
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
CID 134941259
dibenzyl (2S)-2-[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxo-4-phenylmethoxybutanoyl]oxybutanedioate
CID 10509327
(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol
CID 11003481
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
CID 160977016

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane (CID 15321594) is tert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane is C=C(C)CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)/C(C)=C/Cc1ccccc1.
What is the InChIKey of tert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane?
The InChIKey is JDBOANBJFPVKOI-XTCLZLMSSA-N. The full InChI is InChI=1S/C31H38OSi/c1-25(2)24-30(26(3)22-23-27-16-10-7-11-17-27)32-33(31(4,5)6,28-18-12-8-13-19-28)29-20-14-9-15-21-29/h7-22,30H,1,23-24H2,2-6H3/b26-22+.
What are the key properties of tert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane?
tert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane has a molecular weight of 454.73 g/mol, XLogP of 7.09, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane is sourced from PubChem (CID 15321594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).