difluoro-heptadecoxy-heptadecylsilane

C34H70F2OSi — CID 139920704

IUPACdifluoro-heptadecoxy-heptadecylsilane
SMILESCCCCCCCCCCCCCCCCCO[Si](F)(F)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C34H70F2OSi/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-38(35,36)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
InChIKeyXYXFODJTEFEPOJ-UHFFFAOYSA-N
MW561.02 g/mol
LogP13.62
Rot. Bonds33

About difluoro-heptadecoxy-heptadecylsilane

difluoro-heptadecoxy-heptadecylsilane (PubChem CID 139920704) has the molecular formula C34H70F2OSi and a molecular weight of 561.02 g/mol. Its IUPAC name is difluoro-heptadecoxy-heptadecylsilane.

Molecular Properties

Compound Namedifluoro-heptadecoxy-heptadecylsilane
PubChem CID139920704
Molecular FormulaC34H70F2OSi
Molecular Weight561.02 g/mol
Exact Mass560.52
IUPAC Namedifluoro-heptadecoxy-heptadecylsilane
SMILESCCCCCCCCCCCCCCCCCO[Si](F)(F)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C34H70F2OSi/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-38(35,36)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
InChIKeyXYXFODJTEFEPOJ-UHFFFAOYSA-N
XLogP13.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.02
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 difluoro-heptadecoxy-heptadecylsilane?
The IUPAC name of difluoro-heptadecoxy-heptadecylsilane (CID 139920704) is difluoro-heptadecoxy-heptadecylsilane.
What is the SMILES notation for difluoro-heptadecoxy-heptadecylsilane?
The canonical SMILES for difluoro-heptadecoxy-heptadecylsilane is CCCCCCCCCCCCCCCCCO[Si](F)(F)CCCCCCCCCCCCCCCCC.
What is the InChIKey of difluoro-heptadecoxy-heptadecylsilane?
The InChIKey is XYXFODJTEFEPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70F2OSi/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-38(35,36)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3.
What are the key properties of difluoro-heptadecoxy-heptadecylsilane?
difluoro-heptadecoxy-heptadecylsilane has a molecular weight of 561.02 g/mol, XLogP of 13.62, 33 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-heptadecoxy-heptadecylsilane is sourced from PubChem (CID 139920704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).