trimethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]silane

C17H30OSi — CID 528938

IUPACtrimethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]silane
SMILESCC(C)(C)CC(C)(C)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C17H30OSi/c1-16(2,3)13-17(4,5)14-9-11-15(12-10-14)18-19(6,7)8/h9-12H,13H2,1-8H3
InChIKeyLGVXTVHRVKVONW-UHFFFAOYSA-N
MW278.51 g/mol
LogP5.61
Rot. Bonds4

About trimethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]silane

trimethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]silane (PubChem CID 528938) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is trimethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]silane.

Molecular Properties

Compound Nametrimethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]silane
PubChem CID528938
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Nametrimethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]silane
SMILESCC(C)(C)CC(C)(C)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C17H30OSi/c1-16(2,3)13-17(4,5)14-9-11-15(12-10-14)18-19(6,7)8/h9-12H,13H2,1-8H3
InChIKeyLGVXTVHRVKVONW-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]silane?
The IUPAC name of trimethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]silane (CID 528938) is trimethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]silane.
What is the SMILES notation for trimethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]silane?
The canonical SMILES for trimethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]silane is CC(C)(C)CC(C)(C)c1ccc(O[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]silane?
The InChIKey is LGVXTVHRVKVONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OSi/c1-16(2,3)13-17(4,5)14-9-11-15(12-10-14)18-19(6,7)8/h9-12H,13H2,1-8H3.
What are the key properties of trimethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]silane?
trimethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]silane has a molecular weight of 278.51 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]silane is sourced from PubChem (CID 528938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).