tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane

C31H38O2Si — CID 10412453

IUPACtert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane
SMILESCOc1ccc(C#CCCCCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C31H38O2Si/c1-31(2,3)34(29-18-12-9-13-19-29,30-20-14-10-15-21-30)33-26-16-8-6-5-7-11-17-27-22-24-28(32-4)25-23-27/h9-10,12-15,18-25H,5-8,16,26H2,1-4H3
InChIKeyZMMMTGSNFWRDPI-UHFFFAOYSA-N
MW470.73 g/mol
LogP6.57
Rot. Bonds10

About tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane

tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane (PubChem CID 10412453) has the molecular formula C31H38O2Si and a molecular weight of 470.73 g/mol. Its IUPAC name is tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane
PubChem CID10412453
Molecular FormulaC31H38O2Si
Molecular Weight470.73 g/mol
Exact Mass470.26
IUPAC Nametert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane
SMILESCOc1ccc(C#CCCCCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C31H38O2Si/c1-31(2,3)34(29-18-12-9-13-19-29,30-20-14-10-15-21-30)33-26-16-8-6-5-7-11-17-27-22-24-28(32-4)25-23-27/h9-10,12-15,18-25H,5-8,16,26H2,1-4H3
InChIKeyZMMMTGSNFWRDPI-UHFFFAOYSA-N
XLogP6.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.73
LogP ≤ 56.57
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
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CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
[(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane
CID 59381468
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
[4-(9-bromonon-1-ynyl)-2,6-dimethoxyphenoxy]-tert-butyl-diphenylsilane
CID 22164963
1-(7-iodohept-1-ynyl)-4-methoxybenzene
CID 102309739
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane
CID 145367352

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane (CID 10412453) is tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane is COc1ccc(C#CCCCCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane?
The InChIKey is ZMMMTGSNFWRDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38O2Si/c1-31(2,3)34(29-18-12-9-13-19-29,30-20-14-10-15-21-30)33-26-16-8-6-5-7-11-17-27-22-24-28(32-4)25-23-27/h9-10,12-15,18-25H,5-8,16,26H2,1-4H3.
What are the key properties of tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane?
tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane has a molecular weight of 470.73 g/mol, XLogP of 6.57, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane is sourced from PubChem (CID 10412453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).