tert-butyl-dimethyl-[(E)-2-(trifluoromethyl)dec-2-en-4-ynoxy]silane

C17H29F3OSi — CID 102514543

IUPACtert-butyl-dimethyl-[(E)-2-(trifluoromethyl)dec-2-en-4-ynoxy]silane
SMILESCCCCCC#C/C=C(\CO[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C17H29F3OSi/c1-7-8-9-10-11-12-13-15(17(18,19)20)14-21-22(5,6)16(2,3)4/h13H,7-10,14H2,1-6H3/b15-13+
InChIKeyKUPPIKHAEQBKBM-FYWRMAATSA-N
MW334.50 g/mol
LogP6.08
Rot. Bonds6

About tert-butyl-dimethyl-[(E)-2-(trifluoromethyl)dec-2-en-4-ynoxy]silane

tert-butyl-dimethyl-[(E)-2-(trifluoromethyl)dec-2-en-4-ynoxy]silane (PubChem CID 102514543) has the molecular formula C17H29F3OSi and a molecular weight of 334.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-2-(trifluoromethyl)dec-2-en-4-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-2-(trifluoromethyl)dec-2-en-4-ynoxy]silane
PubChem CID102514543
Molecular FormulaC17H29F3OSi
Molecular Weight334.50 g/mol
Exact Mass334.19
IUPAC Nametert-butyl-dimethyl-[(E)-2-(trifluoromethyl)dec-2-en-4-ynoxy]silane
SMILESCCCCCC#C/C=C(\CO[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C17H29F3OSi/c1-7-8-9-10-11-12-13-15(17(18,19)20)14-21-22(5,6)16(2,3)4/h13H,7-10,14H2,1-6H3/b15-13+
InChIKeyKUPPIKHAEQBKBM-FYWRMAATSA-N
XLogP6.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-2-(trifluoromethyl)dec-2-en-4-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-2-(trifluoromethyl)dec-2-en-4-ynoxy]silane (CID 102514543) is tert-butyl-dimethyl-[(E)-2-(trifluoromethyl)dec-2-en-4-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-2-(trifluoromethyl)dec-2-en-4-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-2-(trifluoromethyl)dec-2-en-4-ynoxy]silane is CCCCCC#C/C=C(\CO[Si](C)(C)C(C)(C)C)C(F)(F)F.
What is the InChIKey of tert-butyl-dimethyl-[(E)-2-(trifluoromethyl)dec-2-en-4-ynoxy]silane?
The InChIKey is KUPPIKHAEQBKBM-FYWRMAATSA-N. The full InChI is InChI=1S/C17H29F3OSi/c1-7-8-9-10-11-12-13-15(17(18,19)20)14-21-22(5,6)16(2,3)4/h13H,7-10,14H2,1-6H3/b15-13+.
What are the key properties of tert-butyl-dimethyl-[(E)-2-(trifluoromethyl)dec-2-en-4-ynoxy]silane?
tert-butyl-dimethyl-[(E)-2-(trifluoromethyl)dec-2-en-4-ynoxy]silane has a molecular weight of 334.50 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-2-(trifluoromethyl)dec-2-en-4-ynoxy]silane is sourced from PubChem (CID 102514543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).