tert-butyl-[3-methyl-5-(4-phenoxyphenyl)pent-4-enoxy]-diphenylsilane

C34H38O2Si — CID 139655776

IUPACtert-butyl-[3-methyl-5-(4-phenoxyphenyl)pent-4-enoxy]-diphenylsilane
SMILESCC(C=Cc1ccc(Oc2ccccc2)cc1)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H38O2Si/c1-28(20-21-29-22-24-31(25-23-29)36-30-14-8-5-9-15-30)26-27-35-37(34(2,3)4,32-16-10-6-11-17-32)33-18-12-7-13-19-33/h5-25,28H,26-27H2,1-4H3
InChIKeyFHZSUHYCRNXWEZ-UHFFFAOYSA-N
MW506.76 g/mol
LogP8.09
Rot. Bonds10

About tert-butyl-[3-methyl-5-(4-phenoxyphenyl)pent-4-enoxy]-diphenylsilane

tert-butyl-[3-methyl-5-(4-phenoxyphenyl)pent-4-enoxy]-diphenylsilane (PubChem CID 139655776) has the molecular formula C34H38O2Si and a molecular weight of 506.76 g/mol. Its IUPAC name is tert-butyl-[3-methyl-5-(4-phenoxyphenyl)pent-4-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[3-methyl-5-(4-phenoxyphenyl)pent-4-enoxy]-diphenylsilane
PubChem CID139655776
Molecular FormulaC34H38O2Si
Molecular Weight506.76 g/mol
Exact Mass506.26
IUPAC Nametert-butyl-[3-methyl-5-(4-phenoxyphenyl)pent-4-enoxy]-diphenylsilane
SMILESCC(C=Cc1ccc(Oc2ccccc2)cc1)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H38O2Si/c1-28(20-21-29-22-24-31(25-23-29)36-30-14-8-5-9-15-30)26-27-35-37(34(2,3)4,32-16-10-6-11-17-32)33-18-12-7-13-19-33/h5-25,28H,26-27H2,1-4H3
InChIKeyFHZSUHYCRNXWEZ-UHFFFAOYSA-N
XLogP8.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.76
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol
CID 10026512
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405
(4S,5E,7S)-9-[tert-butyl(diphenyl)silyl]oxy-5,7-dimethylnona-1,5-dien-4-ol
CID 71551406
N-[(E,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylpent-1-en-3-yl]-4-methylbenzenesulfonamide
CID 101455227
(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal
CID 11179531
4-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 11420340
(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane
CID 135009658
tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane
CID 122215628

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-methyl-5-(4-phenoxyphenyl)pent-4-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[3-methyl-5-(4-phenoxyphenyl)pent-4-enoxy]-diphenylsilane (CID 139655776) is tert-butyl-[3-methyl-5-(4-phenoxyphenyl)pent-4-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[3-methyl-5-(4-phenoxyphenyl)pent-4-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[3-methyl-5-(4-phenoxyphenyl)pent-4-enoxy]-diphenylsilane is CC(C=Cc1ccc(Oc2ccccc2)cc1)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[3-methyl-5-(4-phenoxyphenyl)pent-4-enoxy]-diphenylsilane?
The InChIKey is FHZSUHYCRNXWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O2Si/c1-28(20-21-29-22-24-31(25-23-29)36-30-14-8-5-9-15-30)26-27-35-37(34(2,3)4,32-16-10-6-11-17-32)33-18-12-7-13-19-33/h5-25,28H,26-27H2,1-4H3.
What are the key properties of tert-butyl-[3-methyl-5-(4-phenoxyphenyl)pent-4-enoxy]-diphenylsilane?
tert-butyl-[3-methyl-5-(4-phenoxyphenyl)pent-4-enoxy]-diphenylsilane has a molecular weight of 506.76 g/mol, XLogP of 8.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-methyl-5-(4-phenoxyphenyl)pent-4-enoxy]-diphenylsilane is sourced from PubChem (CID 139655776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).