trimethyl-(1,1,1-trifluoro-3,3-dimethyl-4-phenylmethoxybutan-2-yl)oxysilane

C16H25F3O2Si — CID 11566193

IUPACtrimethyl-(1,1,1-trifluoro-3,3-dimethyl-4-phenylmethoxybutan-2-yl)oxysilane
SMILESCC(C)(COCc1ccccc1)C(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C16H25F3O2Si/c1-15(2,12-20-11-13-9-7-6-8-10-13)14(16(17,18)19)21-22(3,4)5/h6-10,14H,11-12H2,1-5H3
InChIKeyBTIWXALTINDAGF-UHFFFAOYSA-N
MW334.45 g/mol
LogP5.01
Rot. Bonds7

About trimethyl-(1,1,1-trifluoro-3,3-dimethyl-4-phenylmethoxybutan-2-yl)oxysilane

trimethyl-(1,1,1-trifluoro-3,3-dimethyl-4-phenylmethoxybutan-2-yl)oxysilane (PubChem CID 11566193) has the molecular formula C16H25F3O2Si and a molecular weight of 334.45 g/mol. Its IUPAC name is trimethyl-(1,1,1-trifluoro-3,3-dimethyl-4-phenylmethoxybutan-2-yl)oxysilane.

Molecular Properties

Compound Nametrimethyl-(1,1,1-trifluoro-3,3-dimethyl-4-phenylmethoxybutan-2-yl)oxysilane
PubChem CID11566193
Molecular FormulaC16H25F3O2Si
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Nametrimethyl-(1,1,1-trifluoro-3,3-dimethyl-4-phenylmethoxybutan-2-yl)oxysilane
SMILESCC(C)(COCc1ccccc1)C(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C16H25F3O2Si/c1-15(2,12-20-11-13-9-7-6-8-10-13)14(16(17,18)19)21-22(3,4)5/h6-10,14H,11-12H2,1-5H3
InChIKeyBTIWXALTINDAGF-UHFFFAOYSA-N
XLogP5.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.45
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1,1,1-trifluoro-3,3-dimethyl-4-phenylmethoxybutan-2-yl)oxysilane?
The IUPAC name of trimethyl-(1,1,1-trifluoro-3,3-dimethyl-4-phenylmethoxybutan-2-yl)oxysilane (CID 11566193) is trimethyl-(1,1,1-trifluoro-3,3-dimethyl-4-phenylmethoxybutan-2-yl)oxysilane.
What is the SMILES notation for trimethyl-(1,1,1-trifluoro-3,3-dimethyl-4-phenylmethoxybutan-2-yl)oxysilane?
The canonical SMILES for trimethyl-(1,1,1-trifluoro-3,3-dimethyl-4-phenylmethoxybutan-2-yl)oxysilane is CC(C)(COCc1ccccc1)C(O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of trimethyl-(1,1,1-trifluoro-3,3-dimethyl-4-phenylmethoxybutan-2-yl)oxysilane?
The InChIKey is BTIWXALTINDAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3O2Si/c1-15(2,12-20-11-13-9-7-6-8-10-13)14(16(17,18)19)21-22(3,4)5/h6-10,14H,11-12H2,1-5H3.
What are the key properties of trimethyl-(1,1,1-trifluoro-3,3-dimethyl-4-phenylmethoxybutan-2-yl)oxysilane?
trimethyl-(1,1,1-trifluoro-3,3-dimethyl-4-phenylmethoxybutan-2-yl)oxysilane has a molecular weight of 334.45 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(1,1,1-trifluoro-3,3-dimethyl-4-phenylmethoxybutan-2-yl)oxysilane is sourced from PubChem (CID 11566193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).