tert-butyl-(7,7-difluoro-6-methylhepta-2,6-dien-4-ynyl)-dimethylsilane

C14H22F2Si — CID 151241725

IUPACtert-butyl-(7,7-difluoro-6-methylhepta-2,6-dien-4-ynyl)-dimethylsilane
SMILESCC(C#CC=CC[Si](C)(C)C(C)(C)C)=C(F)F
InChIInChI=1S/C14H22F2Si/c1-12(13(15)16)10-8-7-9-11-17(5,6)14(2,3)4/h7,9H,11H2,1-6H3
InChIKeyNQLNXYZITZVLSD-UHFFFAOYSA-N
MW256.41 g/mol
LogP5.22
Rot. Bonds2

About tert-butyl-(7,7-difluoro-6-methylhepta-2,6-dien-4-ynyl)-dimethylsilane

tert-butyl-(7,7-difluoro-6-methylhepta-2,6-dien-4-ynyl)-dimethylsilane (PubChem CID 151241725) has the molecular formula C14H22F2Si and a molecular weight of 256.41 g/mol. Its IUPAC name is tert-butyl-(7,7-difluoro-6-methylhepta-2,6-dien-4-ynyl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(7,7-difluoro-6-methylhepta-2,6-dien-4-ynyl)-dimethylsilane
PubChem CID151241725
Molecular FormulaC14H22F2Si
Molecular Weight256.41 g/mol
Exact Mass256.15
IUPAC Nametert-butyl-(7,7-difluoro-6-methylhepta-2,6-dien-4-ynyl)-dimethylsilane
SMILESCC(C#CC=CC[Si](C)(C)C(C)(C)C)=C(F)F
InChIInChI=1S/C14H22F2Si/c1-12(13(15)16)10-8-7-9-11-17(5,6)14(2,3)4/h7,9H,11H2,1-6H3
InChIKeyNQLNXYZITZVLSD-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.41
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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-(7,7-difluoro-6-methylhepta-2,6-dien-4-ynyl)-dimethylsilane?
The IUPAC name of tert-butyl-(7,7-difluoro-6-methylhepta-2,6-dien-4-ynyl)-dimethylsilane (CID 151241725) is tert-butyl-(7,7-difluoro-6-methylhepta-2,6-dien-4-ynyl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(7,7-difluoro-6-methylhepta-2,6-dien-4-ynyl)-dimethylsilane?
The canonical SMILES for tert-butyl-(7,7-difluoro-6-methylhepta-2,6-dien-4-ynyl)-dimethylsilane is CC(C#CC=CC[Si](C)(C)C(C)(C)C)=C(F)F.
What is the InChIKey of tert-butyl-(7,7-difluoro-6-methylhepta-2,6-dien-4-ynyl)-dimethylsilane?
The InChIKey is NQLNXYZITZVLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2Si/c1-12(13(15)16)10-8-7-9-11-17(5,6)14(2,3)4/h7,9H,11H2,1-6H3.
What are the key properties of tert-butyl-(7,7-difluoro-6-methylhepta-2,6-dien-4-ynyl)-dimethylsilane?
tert-butyl-(7,7-difluoro-6-methylhepta-2,6-dien-4-ynyl)-dimethylsilane has a molecular weight of 256.41 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(7,7-difluoro-6-methylhepta-2,6-dien-4-ynyl)-dimethylsilane is sourced from PubChem (CID 151241725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).