tert-butyl-[4-[tert-butyl(difluoro)silyl]butyl]-difluorosilane

C12H26F4Si2 — CID 87144034

IUPACtert-butyl-[4-[tert-butyl(difluoro)silyl]butyl]-difluorosilane
SMILESCC(C)(C)[Si](F)(F)CCCC[Si](F)(F)C(C)(C)C
InChIInChI=1S/C12H26F4Si2/c1-11(2,3)17(13,14)9-7-8-10-18(15,16)12(4,5)6/h7-10H2,1-6H3
InChIKeyKVPXLTUXWOMZJK-UHFFFAOYSA-N
MW302.50 g/mol
LogP6.13
Rot. Bonds5

About tert-butyl-[4-[tert-butyl(difluoro)silyl]butyl]-difluorosilane

tert-butyl-[4-[tert-butyl(difluoro)silyl]butyl]-difluorosilane (PubChem CID 87144034) has the molecular formula C12H26F4Si2 and a molecular weight of 302.50 g/mol. Its IUPAC name is tert-butyl-[4-[tert-butyl(difluoro)silyl]butyl]-difluorosilane.

Molecular Properties

Compound Nametert-butyl-[4-[tert-butyl(difluoro)silyl]butyl]-difluorosilane
PubChem CID87144034
Molecular FormulaC12H26F4Si2
Molecular Weight302.50 g/mol
Exact Mass302.15
IUPAC Nametert-butyl-[4-[tert-butyl(difluoro)silyl]butyl]-difluorosilane
SMILESCC(C)(C)[Si](F)(F)CCCC[Si](F)(F)C(C)(C)C
InChIInChI=1S/C12H26F4Si2/c1-11(2,3)17(13,14)9-7-8-10-18(15,16)12(4,5)6/h7-10H2,1-6H3
InChIKeyKVPXLTUXWOMZJK-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.50
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[tert-butyl(difluoro)silyl]butyl]-difluorosilane?
The IUPAC name of tert-butyl-[4-[tert-butyl(difluoro)silyl]butyl]-difluorosilane (CID 87144034) is tert-butyl-[4-[tert-butyl(difluoro)silyl]butyl]-difluorosilane.
What is the SMILES notation for tert-butyl-[4-[tert-butyl(difluoro)silyl]butyl]-difluorosilane?
The canonical SMILES for tert-butyl-[4-[tert-butyl(difluoro)silyl]butyl]-difluorosilane is CC(C)(C)[Si](F)(F)CCCC[Si](F)(F)C(C)(C)C.
What is the InChIKey of tert-butyl-[4-[tert-butyl(difluoro)silyl]butyl]-difluorosilane?
The InChIKey is KVPXLTUXWOMZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26F4Si2/c1-11(2,3)17(13,14)9-7-8-10-18(15,16)12(4,5)6/h7-10H2,1-6H3.
What are the key properties of tert-butyl-[4-[tert-butyl(difluoro)silyl]butyl]-difluorosilane?
tert-butyl-[4-[tert-butyl(difluoro)silyl]butyl]-difluorosilane has a molecular weight of 302.50 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[tert-butyl(difluoro)silyl]butyl]-difluorosilane is sourced from PubChem (CID 87144034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).