[9-[[dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane

C25H37FO2Si2 — CID 22639120

IUPAC[9-[[dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane
SMILESCCC[Si](C)(C)OCC1(CO[Si](C)(C)CCC)c2ccccc2-c2ccc(F)cc21
InChIInChI=1S/C25H37FO2Si2/c1-7-15-29(3,4)27-18-25(19-28-30(5,6)16-8-2)23-12-10-9-11-21(23)22-14-13-20(26)17-24(22)25/h9-14,17H,7-8,15-16,18-19H2,1-6H3
InChIKeyNNBPSPRGEKRKJL-UHFFFAOYSA-N
MW444.74 g/mol
LogP7.36
Rot. Bonds10

About [9-[[dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane

[9-[[dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane (PubChem CID 22639120) has the molecular formula C25H37FO2Si2 and a molecular weight of 444.74 g/mol. Its IUPAC name is [9-[[dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane.

Molecular Properties

Compound Name[9-[[dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane
PubChem CID22639120
Molecular FormulaC25H37FO2Si2
Molecular Weight444.74 g/mol
Exact Mass444.23
IUPAC Name[9-[[dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane
SMILESCCC[Si](C)(C)OCC1(CO[Si](C)(C)CCC)c2ccccc2-c2ccc(F)cc21
InChIInChI=1S/C25H37FO2Si2/c1-7-15-29(3,4)27-18-25(19-28-30(5,6)16-8-2)23-12-10-9-11-21(23)22-14-13-20(26)17-24(22)25/h9-14,17H,7-8,15-16,18-19H2,1-6H3
InChIKeyNNBPSPRGEKRKJL-UHFFFAOYSA-N
XLogP7.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.74
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [9-[[dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane?
The IUPAC name of [9-[[dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane (CID 22639120) is [9-[[dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane.
What is the SMILES notation for [9-[[dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane?
The canonical SMILES for [9-[[dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane is CCC[Si](C)(C)OCC1(CO[Si](C)(C)CCC)c2ccccc2-c2ccc(F)cc21.
What is the InChIKey of [9-[[dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane?
The InChIKey is NNBPSPRGEKRKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37FO2Si2/c1-7-15-29(3,4)27-18-25(19-28-30(5,6)16-8-2)23-12-10-9-11-21(23)22-14-13-20(26)17-24(22)25/h9-14,17H,7-8,15-16,18-19H2,1-6H3.
What are the key properties of [9-[[dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane?
[9-[[dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane has a molecular weight of 444.74 g/mol, XLogP of 7.36, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[[dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane is sourced from PubChem (CID 22639120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).