ditert-butyl-fluoro-[3-(oxan-2-yloxy)propyl]silane

C16H33FO2Si — CID 72704091

IUPACditert-butyl-fluoro-[3-(oxan-2-yloxy)propyl]silane
SMILESCC(C)(C)[Si](F)(CCCOC1CCCCO1)C(C)(C)C
InChIInChI=1S/C16H33FO2Si/c1-15(2,3)20(17,16(4,5)6)13-9-12-19-14-10-7-8-11-18-14/h14H,7-13H2,1-6H3
InChIKeyBEDBQDBIQHKOMV-UHFFFAOYSA-N
MW304.52 g/mol
LogP5.43
Rot. Bonds5

About ditert-butyl-fluoro-[3-(oxan-2-yloxy)propyl]silane

ditert-butyl-fluoro-[3-(oxan-2-yloxy)propyl]silane (PubChem CID 72704091) has the molecular formula C16H33FO2Si and a molecular weight of 304.52 g/mol. Its IUPAC name is ditert-butyl-fluoro-[3-(oxan-2-yloxy)propyl]silane.

Molecular Properties

Compound Nameditert-butyl-fluoro-[3-(oxan-2-yloxy)propyl]silane
PubChem CID72704091
Molecular FormulaC16H33FO2Si
Molecular Weight304.52 g/mol
Exact Mass304.22
IUPAC Nameditert-butyl-fluoro-[3-(oxan-2-yloxy)propyl]silane
SMILESCC(C)(C)[Si](F)(CCCOC1CCCCO1)C(C)(C)C
InChIInChI=1S/C16H33FO2Si/c1-15(2,3)20(17,16(4,5)6)13-9-12-19-14-10-7-8-11-18-14/h14H,7-13H2,1-6H3
InChIKeyBEDBQDBIQHKOMV-UHFFFAOYSA-N
XLogP5.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ditert-butyl-fluoro-[3-(oxan-2-yloxy)propyl]silane?
The IUPAC name of ditert-butyl-fluoro-[3-(oxan-2-yloxy)propyl]silane (CID 72704091) is ditert-butyl-fluoro-[3-(oxan-2-yloxy)propyl]silane.
What is the SMILES notation for ditert-butyl-fluoro-[3-(oxan-2-yloxy)propyl]silane?
The canonical SMILES for ditert-butyl-fluoro-[3-(oxan-2-yloxy)propyl]silane is CC(C)(C)[Si](F)(CCCOC1CCCCO1)C(C)(C)C.
What is the InChIKey of ditert-butyl-fluoro-[3-(oxan-2-yloxy)propyl]silane?
The InChIKey is BEDBQDBIQHKOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33FO2Si/c1-15(2,3)20(17,16(4,5)6)13-9-12-19-14-10-7-8-11-18-14/h14H,7-13H2,1-6H3.
What are the key properties of ditert-butyl-fluoro-[3-(oxan-2-yloxy)propyl]silane?
ditert-butyl-fluoro-[3-(oxan-2-yloxy)propyl]silane has a molecular weight of 304.52 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-fluoro-[3-(oxan-2-yloxy)propyl]silane is sourced from PubChem (CID 72704091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).