tert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane

C24H36O2Si — CID 150234227

IUPACtert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane
SMILESCc1ccccc1-c1c(C)cc(OCCCO[Si](C)(C)C(C)(C)C)cc1C
InChIInChI=1S/C24H36O2Si/c1-18-12-9-10-13-22(18)23-19(2)16-21(17-20(23)3)25-14-11-15-26-27(7,8)24(4,5)6/h9-10,12-13,16-17H,11,14-15H2,1-8H3
InChIKeyFWDMGPZHTBCMOX-UHFFFAOYSA-N
MW384.64 g/mol
LogP7.07
Rot. Bonds7

About tert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane

tert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane (PubChem CID 150234227) has the molecular formula C24H36O2Si and a molecular weight of 384.64 g/mol. Its IUPAC name is tert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane
PubChem CID150234227
Molecular FormulaC24H36O2Si
Molecular Weight384.64 g/mol
Exact Mass384.25
IUPAC Nametert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane
SMILESCc1ccccc1-c1c(C)cc(OCCCO[Si](C)(C)C(C)(C)C)cc1C
InChIInChI=1S/C24H36O2Si/c1-18-12-9-10-13-22(18)23-19(2)16-21(17-20(23)3)25-14-11-15-26-27(7,8)24(4,5)6/h9-10,12-13,16-17H,11,14-15H2,1-8H3
InChIKeyFWDMGPZHTBCMOX-UHFFFAOYSA-N
XLogP7.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.64
LogP ≤ 57.07
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane (CID 150234227) is tert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane is Cc1ccccc1-c1c(C)cc(OCCCO[Si](C)(C)C(C)(C)C)cc1C.
What is the InChIKey of tert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane?
The InChIKey is FWDMGPZHTBCMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O2Si/c1-18-12-9-10-13-22(18)23-19(2)16-21(17-20(23)3)25-14-11-15-26-27(7,8)24(4,5)6/h9-10,12-13,16-17H,11,14-15H2,1-8H3.
What are the key properties of tert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane?
tert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane has a molecular weight of 384.64 g/mol, XLogP of 7.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane is sourced from PubChem (CID 150234227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).