tert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane

C14H24F2Si — CID 10999765

IUPACtert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane
SMILESCCCCC(C#C[Si](C)(C)C(C)(C)C)=C(F)F
InChIInChI=1S/C14H24F2Si/c1-7-8-9-12(13(15)16)10-11-17(5,6)14(2,3)4/h7-9H2,1-6H3
InChIKeyOAWZIXKHRBHUOS-UHFFFAOYSA-N
MW258.43 g/mol
LogP5.38
Rot. Bonds3

About tert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane

tert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane (PubChem CID 10999765) has the molecular formula C14H24F2Si and a molecular weight of 258.43 g/mol. Its IUPAC name is tert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane
PubChem CID10999765
Molecular FormulaC14H24F2Si
Molecular Weight258.43 g/mol
Exact Mass258.16
IUPAC Nametert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane
SMILESCCCCC(C#C[Si](C)(C)C(C)(C)C)=C(F)F
InChIInChI=1S/C14H24F2Si/c1-7-8-9-12(13(15)16)10-11-17(5,6)14(2,3)4/h7-9H2,1-6H3
InChIKeyOAWZIXKHRBHUOS-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.43
LogP ≤ 55.38
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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Related Compounds

3-(Difluoromethylidene)hept-1-ynyl-trimethylsilane
CID 139708427
Trimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane
CID 139880263
Trimethyl[2-(trifluoromethyl)-3-cyclohexylidene-2-propenyl]silane
CID 102471339
Trimethyl-[3-(2-methylprop-1-enylidene)hept-1-ynyl]silane
CID 11310582

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane (CID 10999765) is tert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane is CCCCC(C#C[Si](C)(C)C(C)(C)C)=C(F)F.
What is the InChIKey of tert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane?
The InChIKey is OAWZIXKHRBHUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2Si/c1-7-8-9-12(13(15)16)10-11-17(5,6)14(2,3)4/h7-9H2,1-6H3.
What are the key properties of tert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane?
tert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane has a molecular weight of 258.43 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane is sourced from PubChem (CID 10999765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).