2-(4-tert-butylphenyl)ethyl-trimethoxysilane

C15H26O3Si — CID 139668437

IUPAC2-(4-tert-butylphenyl)ethyl-trimethoxysilane
SMILESCO[Si](CCc1ccc(C(C)(C)C)cc1)(OC)OC
InChIInChI=1S/C15H26O3Si/c1-15(2,3)14-9-7-13(8-10-14)11-12-19(16-4,17-5)18-6/h7-10H,11-12H2,1-6H3
InChIKeyQAONWHBARUNWBO-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.40
Rot. Bonds6

About 2-(4-tert-butylphenyl)ethyl-trimethoxysilane

2-(4-tert-butylphenyl)ethyl-trimethoxysilane (PubChem CID 139668437) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)ethyl-trimethoxysilane.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)ethyl-trimethoxysilane
PubChem CID139668437
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Name2-(4-tert-butylphenyl)ethyl-trimethoxysilane
SMILESCO[Si](CCc1ccc(C(C)(C)C)cc1)(OC)OC
InChIInChI=1S/C15H26O3Si/c1-15(2,3)14-9-7-13(8-10-14)11-12-19(16-4,17-5)18-6/h7-10H,11-12H2,1-6H3
InChIKeyQAONWHBARUNWBO-UHFFFAOYSA-N
XLogP3.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[4-(2-trimethoxysilylethyl)phenyl]silane
CID 152723809
trimethoxy-[2-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]ethyl]silane
CID 25261331
methoxy-di(propan-2-yloxy)-[2-[4-(trifluoromethyl)phenyl]ethyl]silane
CID 90173870
1-tert-butyl-4-(2-methoxyethyl)benzene
CID 67201808
[bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol
CID 123655126
trimethoxy(2-phenylethyl)silane;trimethoxy(propyl)silane
CID 70127509
2-(3,4-dimethylphenyl)ethyl-trimethoxysilane
CID 59566689
3-(4-tert-butylphenyl)propanal
CID 87303470
tris[2-(4-tert-butylphenyl)ethyl]-sulfanylidene-λ5-phosphane
CID 122379311
2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane
CID 90226834
3-(4-tert-butylphenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 91755690
1-tert-butyl-4-ethylbenzene
CID 157359507

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)ethyl-trimethoxysilane?
The IUPAC name of 2-(4-tert-butylphenyl)ethyl-trimethoxysilane (CID 139668437) is 2-(4-tert-butylphenyl)ethyl-trimethoxysilane.
What is the SMILES notation for 2-(4-tert-butylphenyl)ethyl-trimethoxysilane?
The canonical SMILES for 2-(4-tert-butylphenyl)ethyl-trimethoxysilane is CO[Si](CCc1ccc(C(C)(C)C)cc1)(OC)OC.
What is the InChIKey of 2-(4-tert-butylphenyl)ethyl-trimethoxysilane?
The InChIKey is QAONWHBARUNWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-15(2,3)14-9-7-13(8-10-14)11-12-19(16-4,17-5)18-6/h7-10H,11-12H2,1-6H3.
What are the key properties of 2-(4-tert-butylphenyl)ethyl-trimethoxysilane?
2-(4-tert-butylphenyl)ethyl-trimethoxysilane has a molecular weight of 282.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)ethyl-trimethoxysilane is sourced from PubChem (CID 139668437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).