tert-butyl-(1,1-difluoro-2-methylhept-1-en-3-yl)oxy-dimethylsilane

C14H28F2OSi — CID 102019627

IUPACtert-butyl-(1,1-difluoro-2-methylhept-1-en-3-yl)oxy-dimethylsilane
SMILESCCCCC(O[Si](C)(C)C(C)(C)C)C(C)=C(F)F
InChIInChI=1S/C14H28F2OSi/c1-8-9-10-12(11(2)13(15)16)17-18(6,7)14(3,4)5/h12H,8-10H2,1-7H3
InChIKeyRGEMMBGKOLCNHZ-UHFFFAOYSA-N
MW278.46 g/mol
LogP5.74
Rot. Bonds6

About tert-butyl-(1,1-difluoro-2-methylhept-1-en-3-yl)oxy-dimethylsilane

tert-butyl-(1,1-difluoro-2-methylhept-1-en-3-yl)oxy-dimethylsilane (PubChem CID 102019627) has the molecular formula C14H28F2OSi and a molecular weight of 278.46 g/mol. Its IUPAC name is tert-butyl-(1,1-difluoro-2-methylhept-1-en-3-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1,1-difluoro-2-methylhept-1-en-3-yl)oxy-dimethylsilane
PubChem CID102019627
Molecular FormulaC14H28F2OSi
Molecular Weight278.46 g/mol
Exact Mass278.19
IUPAC Nametert-butyl-(1,1-difluoro-2-methylhept-1-en-3-yl)oxy-dimethylsilane
SMILESCCCCC(O[Si](C)(C)C(C)(C)C)C(C)=C(F)F
InChIInChI=1S/C14H28F2OSi/c1-8-9-10-12(11(2)13(15)16)17-18(6,7)14(3,4)5/h12H,8-10H2,1-7H3
InChIKeyRGEMMBGKOLCNHZ-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.46
LogP ≤ 55.74
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 tert-butyl-(1,1-difluoro-2-methylhept-1-en-3-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(1,1-difluoro-2-methylhept-1-en-3-yl)oxy-dimethylsilane (CID 102019627) is tert-butyl-(1,1-difluoro-2-methylhept-1-en-3-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(1,1-difluoro-2-methylhept-1-en-3-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(1,1-difluoro-2-methylhept-1-en-3-yl)oxy-dimethylsilane is CCCCC(O[Si](C)(C)C(C)(C)C)C(C)=C(F)F.
What is the InChIKey of tert-butyl-(1,1-difluoro-2-methylhept-1-en-3-yl)oxy-dimethylsilane?
The InChIKey is RGEMMBGKOLCNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2OSi/c1-8-9-10-12(11(2)13(15)16)17-18(6,7)14(3,4)5/h12H,8-10H2,1-7H3.
What are the key properties of tert-butyl-(1,1-difluoro-2-methylhept-1-en-3-yl)oxy-dimethylsilane?
tert-butyl-(1,1-difluoro-2-methylhept-1-en-3-yl)oxy-dimethylsilane has a molecular weight of 278.46 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1,1-difluoro-2-methylhept-1-en-3-yl)oxy-dimethylsilane is sourced from PubChem (CID 102019627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).