tert-butyl-[(2,2-difluoro-3,3a,4,5,6,7-hexahydroinden-1-yl)oxy]-dimethylsilane

C15H26F2OSi — CID 122389929

IUPACtert-butyl-[(2,2-difluoro-3,3a,4,5,6,7-hexahydroinden-1-yl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=C2CCCCC2CC1(F)F
InChIInChI=1S/C15H26F2OSi/c1-14(2,3)19(4,5)18-13-12-9-7-6-8-11(12)10-15(13,16)17/h11H,6-10H2,1-5H3
InChIKeyLMFARMYBOHILDC-UHFFFAOYSA-N
MW288.45 g/mol
LogP5.49
Rot. Bonds2

About tert-butyl-[(2,2-difluoro-3,3a,4,5,6,7-hexahydroinden-1-yl)oxy]-dimethylsilane

tert-butyl-[(2,2-difluoro-3,3a,4,5,6,7-hexahydroinden-1-yl)oxy]-dimethylsilane (PubChem CID 122389929) has the molecular formula C15H26F2OSi and a molecular weight of 288.45 g/mol. Its IUPAC name is tert-butyl-[(2,2-difluoro-3,3a,4,5,6,7-hexahydroinden-1-yl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2,2-difluoro-3,3a,4,5,6,7-hexahydroinden-1-yl)oxy]-dimethylsilane
PubChem CID122389929
Molecular FormulaC15H26F2OSi
Molecular Weight288.45 g/mol
Exact Mass288.17
IUPAC Nametert-butyl-[(2,2-difluoro-3,3a,4,5,6,7-hexahydroinden-1-yl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=C2CCCCC2CC1(F)F
InChIInChI=1S/C15H26F2OSi/c1-14(2,3)19(4,5)18-13-12-9-7-6-8-11(12)10-15(13,16)17/h11H,6-10H2,1-5H3
InChIKeyLMFARMYBOHILDC-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.45
LogP ≤ 55.49
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-[(2,2-difluoro-3,3a,4,5,6,7-hexahydroinden-1-yl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2,2-difluoro-3,3a,4,5,6,7-hexahydroinden-1-yl)oxy]-dimethylsilane (CID 122389929) is tert-butyl-[(2,2-difluoro-3,3a,4,5,6,7-hexahydroinden-1-yl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2,2-difluoro-3,3a,4,5,6,7-hexahydroinden-1-yl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2,2-difluoro-3,3a,4,5,6,7-hexahydroinden-1-yl)oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=C2CCCCC2CC1(F)F.
What is the InChIKey of tert-butyl-[(2,2-difluoro-3,3a,4,5,6,7-hexahydroinden-1-yl)oxy]-dimethylsilane?
The InChIKey is LMFARMYBOHILDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2OSi/c1-14(2,3)19(4,5)18-13-12-9-7-6-8-11(12)10-15(13,16)17/h11H,6-10H2,1-5H3.
What are the key properties of tert-butyl-[(2,2-difluoro-3,3a,4,5,6,7-hexahydroinden-1-yl)oxy]-dimethylsilane?
tert-butyl-[(2,2-difluoro-3,3a,4,5,6,7-hexahydroinden-1-yl)oxy]-dimethylsilane has a molecular weight of 288.45 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2,2-difluoro-3,3a,4,5,6,7-hexahydroinden-1-yl)oxy]-dimethylsilane is sourced from PubChem (CID 122389929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).