tert-butyl-[(2R)-2-[(E,2S)-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]-4-phenylbut-3-en-2-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane

C35H60O4Si2 — CID 134930746

IUPACtert-butyl-[(2R)-2-[(E,2S)-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]-4-phenylbut-3-en-2-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
SMILESC=C(C)C[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H](/C=C/c1ccccc1)CC1C=C(C)C[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C35H60O4Si2/c1-27(2)21-32(25-36-40(10,11)34(4,5)6)38-30(20-19-29-17-15-14-16-18-29)24-31-22-28(3)23-33(39-31)26-37-41(12,13)35(7,8)9/h14-20,22,30-33H,1,21,23-26H2,2-13H3/b20-19+/t30-,31?,32-,33-/m1/s1
InChIKeyOKECZWTZOACJQC-DPJFYOBTSA-N
MW601.03 g/mol
LogP9.96
Rot. Bonds14

About tert-butyl-[(2R)-2-[(E,2S)-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]-4-phenylbut-3-en-2-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane

tert-butyl-[(2R)-2-[(E,2S)-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]-4-phenylbut-3-en-2-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane (PubChem CID 134930746) has the molecular formula C35H60O4Si2 and a molecular weight of 601.03 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-[(E,2S)-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]-4-phenylbut-3-en-2-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-[(E,2S)-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]-4-phenylbut-3-en-2-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
PubChem CID134930746
Molecular FormulaC35H60O4Si2
Molecular Weight601.03 g/mol
Exact Mass600.40
IUPAC Nametert-butyl-[(2R)-2-[(E,2S)-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]-4-phenylbut-3-en-2-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
SMILESC=C(C)C[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H](/C=C/c1ccccc1)CC1C=C(C)C[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C35H60O4Si2/c1-27(2)21-32(25-36-40(10,11)34(4,5)6)38-30(20-19-29-17-15-14-16-18-29)24-31-22-28(3)23-33(39-31)26-37-41(12,13)35(7,8)9/h14-20,22,30-33H,1,21,23-26H2,2-13H3/b20-19+/t30-,31?,32-,33-/m1/s1
InChIKeyOKECZWTZOACJQC-DPJFYOBTSA-N
XLogP9.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.03
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane
CID 169094383
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
tert-butyl-[[(2R,6R)-2-[[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-2-yl]methyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]methoxy]-dimethylsilane
CID 134979961
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
CID 101421938
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane
CID 134881253
tert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane
CID 102432622
(2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol
CID 46868612
tert-butyl-[(Z,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enoxy]-dimethylsilane
CID 177383661
(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
CID 102328317
(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 14894503
tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
CID 10980030
tert-butyl-dimethyl-(2-phenylethenoxy)silane
CID 10466833

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-[(E,2S)-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]-4-phenylbut-3-en-2-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-2-[(E,2S)-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]-4-phenylbut-3-en-2-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane (CID 134930746) is tert-butyl-[(2R)-2-[(E,2S)-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]-4-phenylbut-3-en-2-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-[(E,2S)-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]-4-phenylbut-3-en-2-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-[(E,2S)-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]-4-phenylbut-3-en-2-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane is C=C(C)C[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H](/C=C/c1ccccc1)CC1C=C(C)C[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[(2R)-2-[(E,2S)-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]-4-phenylbut-3-en-2-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane?
The InChIKey is OKECZWTZOACJQC-DPJFYOBTSA-N. The full InChI is InChI=1S/C35H60O4Si2/c1-27(2)21-32(25-36-40(10,11)34(4,5)6)38-30(20-19-29-17-15-14-16-18-29)24-31-22-28(3)23-33(39-31)26-37-41(12,13)35(7,8)9/h14-20,22,30-33H,1,21,23-26H2,2-13H3/b20-19+/t30-,31?,32-,33-/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-[(E,2S)-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]-4-phenylbut-3-en-2-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane?
tert-butyl-[(2R)-2-[(E,2S)-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]-4-phenylbut-3-en-2-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane has a molecular weight of 601.03 g/mol, XLogP of 9.96, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-[(E,2S)-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]-4-phenylbut-3-en-2-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 134930746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).