butyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane

C27H41FO2Si2 — CID 69305459

IUPACbutyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane
SMILESCCCC[Si](C)(C)OCC1(CO[Si](C)(C)CCCC)c2ccccc2-c2ccc(F)cc21
InChIInChI=1S/C27H41FO2Si2/c1-7-9-17-31(3,4)29-20-27(21-30-32(5,6)18-10-8-2)25-14-12-11-13-23(25)24-16-15-22(28)19-26(24)27/h11-16,19H,7-10,17-18,20-21H2,1-6H3
InChIKeyKVIKRVNBNMEJID-UHFFFAOYSA-N
MW472.79 g/mol
LogP8.14
Rot. Bonds12

About butyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane

butyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane (PubChem CID 69305459) has the molecular formula C27H41FO2Si2 and a molecular weight of 472.79 g/mol. Its IUPAC name is butyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Namebutyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane
PubChem CID69305459
Molecular FormulaC27H41FO2Si2
Molecular Weight472.79 g/mol
Exact Mass472.26
IUPAC Namebutyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane
SMILESCCCC[Si](C)(C)OCC1(CO[Si](C)(C)CCCC)c2ccccc2-c2ccc(F)cc21
InChIInChI=1S/C27H41FO2Si2/c1-7-9-17-31(3,4)29-20-27(21-30-32(5,6)18-10-8-2)25-14-12-11-13-23(25)24-16-15-22(28)19-26(24)27/h11-16,19H,7-10,17-18,20-21H2,1-6H3
InChIKeyKVIKRVNBNMEJID-UHFFFAOYSA-N
XLogP8.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.79
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9-Bis(methoxymethyl)-9H-fluorene
CID 11054211
[2-Fluoro-9-(hydroxymethyl)fluoren-9-yl]methanol
CID 12885932
1,8-Difluoro-9,9-bis(methoxymethyl)fluorene
CID 21972408
2,3,4,5,6,7-Hexafluoro-9,9-bis(methoxymethyl)fluorene
CID 21972415
2,3,6,7-Tetrafluoro-9-(1-methoxyethyl)-9-(methoxymethyl)fluorene
CID 22140456
[2-Fluoro-9-(trimethylsilyloxymethyl)fluoren-9-yl]methoxy-trimethylsilane
CID 22639102
[9-[[Dimethyl(1-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(1-phenylethyl)silane
CID 22639108
Triethyl-[[2-fluoro-9-(triethylsilyloxymethyl)fluoren-9-yl]methoxy]silane
CID 22639117
[9-[[Dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane
CID 22639120
Ethyl-[[9-[[ethyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane
CID 22639121
[9-[[Dimethyl(phenyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-phenylsilane
CID 22639129
[2-Fluoro-9-(triphenylsilyloxymethyl)fluoren-9-yl]methoxy-triphenylsilane
CID 22639130

Frequently Asked Questions

What is the IUPAC name of butyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane?
The IUPAC name of butyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane (CID 69305459) is butyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane.
What is the SMILES notation for butyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane?
The canonical SMILES for butyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane is CCCC[Si](C)(C)OCC1(CO[Si](C)(C)CCCC)c2ccccc2-c2ccc(F)cc21.
What is the InChIKey of butyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane?
The InChIKey is KVIKRVNBNMEJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41FO2Si2/c1-7-9-17-31(3,4)29-20-27(21-30-32(5,6)18-10-8-2)25-14-12-11-13-23(25)24-16-15-22(28)19-26(24)27/h11-16,19H,7-10,17-18,20-21H2,1-6H3.
What are the key properties of butyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane?
butyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane has a molecular weight of 472.79 g/mol, XLogP of 8.14, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 69305459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).