tert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane

C29H36O2Si — CID 102031153

IUPACtert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane
SMILESCOc1ccccc1/C(C)=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H36O2Si/c1-24(27-21-12-13-22-28(27)30-5)16-14-15-23-31-32(29(2,3)4,25-17-8-6-9-18-25)26-19-10-7-11-20-26/h6-13,16-22H,14-15,23H2,1-5H3/b24-16+
InChIKeyNUCSNWRWSICWNH-LFVJCYFKSA-N
MW444.69 g/mol
LogP6.46
Rot. Bonds9

About tert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane

tert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane (PubChem CID 102031153) has the molecular formula C29H36O2Si and a molecular weight of 444.69 g/mol. Its IUPAC name is tert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane
PubChem CID102031153
Molecular FormulaC29H36O2Si
Molecular Weight444.69 g/mol
Exact Mass444.25
IUPAC Nametert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane
SMILESCOc1ccccc1/C(C)=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H36O2Si/c1-24(27-21-12-13-22-28(27)30-5)16-14-15-23-31-32(29(2,3)4,25-17-8-6-9-18-25)26-19-10-7-11-20-26/h6-13,16-22H,14-15,23H2,1-5H3/b24-16+
InChIKeyNUCSNWRWSICWNH-LFVJCYFKSA-N
XLogP6.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.69
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane
CID 71404440
(Z)-8-[tert-butyl(diphenyl)silyl]oxy-3-fluorooct-3-en-1-ol
CID 23054616
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
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CID 25058521
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate
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1-methoxy-2-pent-2-en-2-ylbenzene
CID 71423787

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane (CID 102031153) is tert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane is COc1ccccc1/C(C)=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane?
The InChIKey is NUCSNWRWSICWNH-LFVJCYFKSA-N. The full InChI is InChI=1S/C29H36O2Si/c1-24(27-21-12-13-22-28(27)30-5)16-14-15-23-31-32(29(2,3)4,25-17-8-6-9-18-25)26-19-10-7-11-20-26/h6-13,16-22H,14-15,23H2,1-5H3/b24-16+.
What are the key properties of tert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane?
tert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane has a molecular weight of 444.69 g/mol, XLogP of 6.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane is sourced from PubChem (CID 102031153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).