tert-butyl-[(E,4S)-4-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enoxy]-dimethylsilane

C26H44O3Si — CID 102109759

IUPACtert-butyl-[(E,4S)-4-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enoxy]-dimethylsilane
SMILESCOc1ccc(COC[C@](C)(/C=C/CO[Si](C)(C)C(C)(C)C)C2CCCCC2)cc1
InChIInChI=1S/C26H44O3Si/c1-25(2,3)30(6,7)29-19-11-18-26(4,23-12-9-8-10-13-23)21-28-20-22-14-16-24(27-5)17-15-22/h11,14-18,23H,8-10,12-13,19-21H2,1-7H3/b18-11+/t26-/m0/s1
InChIKeyLSKJYAVQSKKPTR-HYSUNIORSA-N
MW432.72 g/mol
LogP7.38
Rot. Bonds10

About tert-butyl-[(E,4S)-4-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enoxy]-dimethylsilane

tert-butyl-[(E,4S)-4-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enoxy]-dimethylsilane (PubChem CID 102109759) has the molecular formula C26H44O3Si and a molecular weight of 432.72 g/mol. Its IUPAC name is tert-butyl-[(E,4S)-4-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,4S)-4-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enoxy]-dimethylsilane
PubChem CID102109759
Molecular FormulaC26H44O3Si
Molecular Weight432.72 g/mol
Exact Mass432.31
IUPAC Nametert-butyl-[(E,4S)-4-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enoxy]-dimethylsilane
SMILESCOc1ccc(COC[C@](C)(/C=C/CO[Si](C)(C)C(C)(C)C)C2CCCCC2)cc1
InChIInChI=1S/C26H44O3Si/c1-25(2,3)30(6,7)29-19-11-18-26(4,23-12-9-8-10-13-23)21-28-20-22-14-16-24(27-5)17-15-22/h11,14-18,23H,8-10,12-13,19-21H2,1-7H3/b18-11+/t26-/m0/s1
InChIKeyLSKJYAVQSKKPTR-HYSUNIORSA-N
XLogP7.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.72
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[(E,4S)-4-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enoxy]-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane
CID 68636763
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol
CID 25257485
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
tert-butyl-[[4-[2-[4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
CID 76826455
tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
CID 58596731
(E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid
CID 102263688
tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane
CID 11393604
tert-butyl-[(2S,3S)-5-dicyclohexylboranyloxy-3-methoxy-1-[(4-methoxyphenyl)methoxy]hex-5-en-2-yl]oxy-dimethylsilane
CID 101412943
cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]cyclobutane-1,1-dicarbaldehyde
CID 101211129
(1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol
CID 25257173
(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-[(4-methoxyphenyl)methoxy]oxan-2-one
CID 101429250
(E)-6-[(4-methoxyphenyl)methoxy]-3,3-dimethylhex-4-en-2-one
CID 58932908

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,4S)-4-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,4S)-4-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enoxy]-dimethylsilane (CID 102109759) is tert-butyl-[(E,4S)-4-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,4S)-4-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,4S)-4-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enoxy]-dimethylsilane is COc1ccc(COC[C@](C)(/C=C/CO[Si](C)(C)C(C)(C)C)C2CCCCC2)cc1.
What is the InChIKey of tert-butyl-[(E,4S)-4-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enoxy]-dimethylsilane?
The InChIKey is LSKJYAVQSKKPTR-HYSUNIORSA-N. The full InChI is InChI=1S/C26H44O3Si/c1-25(2,3)30(6,7)29-19-11-18-26(4,23-12-9-8-10-13-23)21-28-20-22-14-16-24(27-5)17-15-22/h11,14-18,23H,8-10,12-13,19-21H2,1-7H3/b18-11+/t26-/m0/s1.
What are the key properties of tert-butyl-[(E,4S)-4-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enoxy]-dimethylsilane?
tert-butyl-[(E,4S)-4-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enoxy]-dimethylsilane has a molecular weight of 432.72 g/mol, XLogP of 7.38, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,4S)-4-cyclohexyl-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enoxy]-dimethylsilane is sourced from PubChem (CID 102109759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).