tert-butyl-[[5-fluoro-8-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluoren-2-yl]methoxy]-dimethylsilane

C26H35FO2Si — CID 58380306

IUPACtert-butyl-[[5-fluoro-8-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluoren-2-yl]methoxy]-dimethylsilane
SMILESC=CC(C)(C)C1c2cc(CO[Si](C)(C)C(C)(C)C)ccc2-c2c(F)ccc(OC)c21
InChIInChI=1S/C26H35FO2Si/c1-10-26(5,6)24-19-15-17(16-29-30(8,9)25(2,3)4)11-12-18(19)22-20(27)13-14-21(28-7)23(22)24/h10-15,24H,1,16H2,2-9H3
InChIKeyKBOJRAIPMPLOKM-UHFFFAOYSA-N
MW426.65 g/mol
LogP7.68
Rot. Bonds6

About tert-butyl-[[5-fluoro-8-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluoren-2-yl]methoxy]-dimethylsilane

tert-butyl-[[5-fluoro-8-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluoren-2-yl]methoxy]-dimethylsilane (PubChem CID 58380306) has the molecular formula C26H35FO2Si and a molecular weight of 426.65 g/mol. Its IUPAC name is tert-butyl-[[5-fluoro-8-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluoren-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[5-fluoro-8-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluoren-2-yl]methoxy]-dimethylsilane
PubChem CID58380306
Molecular FormulaC26H35FO2Si
Molecular Weight426.65 g/mol
Exact Mass426.24
IUPAC Nametert-butyl-[[5-fluoro-8-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluoren-2-yl]methoxy]-dimethylsilane
SMILESC=CC(C)(C)C1c2cc(CO[Si](C)(C)C(C)(C)C)ccc2-c2c(F)ccc(OC)c21
InChIInChI=1S/C26H35FO2Si/c1-10-26(5,6)24-19-15-17(16-29-30(8,9)25(2,3)4)11-12-18(19)22-20(27)13-14-21(28-7)23(22)24/h10-15,24H,1,16H2,2-9H3
InChIKeyKBOJRAIPMPLOKM-UHFFFAOYSA-N
XLogP7.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.65
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[5-fluoro-8-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluoren-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[5-fluoro-8-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluoren-2-yl]methoxy]-dimethylsilane (CID 58380306) is tert-butyl-[[5-fluoro-8-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluoren-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[5-fluoro-8-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluoren-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[5-fluoro-8-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluoren-2-yl]methoxy]-dimethylsilane is C=CC(C)(C)C1c2cc(CO[Si](C)(C)C(C)(C)C)ccc2-c2c(F)ccc(OC)c21.
What is the InChIKey of tert-butyl-[[5-fluoro-8-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluoren-2-yl]methoxy]-dimethylsilane?
The InChIKey is KBOJRAIPMPLOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FO2Si/c1-10-26(5,6)24-19-15-17(16-29-30(8,9)25(2,3)4)11-12-18(19)22-20(27)13-14-21(28-7)23(22)24/h10-15,24H,1,16H2,2-9H3.
What are the key properties of tert-butyl-[[5-fluoro-8-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluoren-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[5-fluoro-8-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluoren-2-yl]methoxy]-dimethylsilane has a molecular weight of 426.65 g/mol, XLogP of 7.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[5-fluoro-8-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluoren-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 58380306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).