tert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane

C24H44OSi — CID 142715301

IUPACtert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane
SMILESCCC(C)(CCCC(C)C)CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C24H44OSi/c1-10-24(7,18-11-12-20(2)3)19-17-21-13-15-22(16-14-21)25-26(8,9)23(4,5)6/h13-16,20H,10-12,17-19H2,1-9H3
InChIKeyNBTYLQVPNMLDIZ-UHFFFAOYSA-N
MW376.70 g/mol
LogP8.25
Rot. Bonds10

About tert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane

tert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane (PubChem CID 142715301) has the molecular formula C24H44OSi and a molecular weight of 376.70 g/mol. Its IUPAC name is tert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane
PubChem CID142715301
Molecular FormulaC24H44OSi
Molecular Weight376.70 g/mol
Exact Mass376.32
IUPAC Nametert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane
SMILESCCC(C)(CCCC(C)C)CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C24H44OSi/c1-10-24(7,18-11-12-20(2)3)19-17-21-13-15-22(16-14-21)25-26(8,9)23(4,5)6/h13-16,20H,10-12,17-19H2,1-9H3
InChIKeyNBTYLQVPNMLDIZ-UHFFFAOYSA-N
XLogP8.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.70
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane (CID 142715301) is tert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane is CCC(C)(CCCC(C)C)CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane?
The InChIKey is NBTYLQVPNMLDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44OSi/c1-10-24(7,18-11-12-20(2)3)19-17-21-13-15-22(16-14-21)25-26(8,9)23(4,5)6/h13-16,20H,10-12,17-19H2,1-9H3.
What are the key properties of tert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane?
tert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane has a molecular weight of 376.70 g/mol, XLogP of 8.25, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane is sourced from PubChem (CID 142715301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).