tert-butyl-(9H-fluoren-9-yloxy)-phenylsilane

C23H24OSi — CID 162413233

IUPACtert-butyl-(9H-fluoren-9-yloxy)-phenylsilane
SMILESCC(C)(C)[Si@H](OC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C23H24OSi/c1-23(2,3)25(17-11-5-4-6-12-17)24-22-20-15-9-7-13-18(20)19-14-8-10-16-21(19)22/h4-16,22,25H,1-3H3/t25-/m1/s1
InChIKeyAVGXSMJOFLNRNS-RUZDIDTESA-N
MW344.53 g/mol
LogP5.20
Rot. Bonds3

About tert-butyl-(9H-fluoren-9-yloxy)-phenylsilane

tert-butyl-(9H-fluoren-9-yloxy)-phenylsilane (PubChem CID 162413233) has the molecular formula C23H24OSi and a molecular weight of 344.53 g/mol. Its IUPAC name is tert-butyl-(9H-fluoren-9-yloxy)-phenylsilane.

Molecular Properties

Compound Nametert-butyl-(9H-fluoren-9-yloxy)-phenylsilane
PubChem CID162413233
Molecular FormulaC23H24OSi
Molecular Weight344.53 g/mol
Exact Mass344.16
IUPAC Nametert-butyl-(9H-fluoren-9-yloxy)-phenylsilane
SMILESCC(C)(C)[Si@H](OC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C23H24OSi/c1-23(2,3)25(17-11-5-4-6-12-17)24-22-20-15-9-7-13-18(20)19-14-8-10-16-21(19)22/h4-16,22,25H,1-3H3/t25-/m1/s1
InChIKeyAVGXSMJOFLNRNS-RUZDIDTESA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.53
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-(2-Methylphenyl)-9h-fluoren-9-ol
CID 291942
9-Methoxy-9H-fluorene
CID 155999
Trimethyl-[9-(trifluoromethyl)fluoren-9-yl]oxysilane
CID 11472732
Hydroperoxide, 9H-fluoren-9-yl-
CID 10104184
Dimethyl(diphenylmethoxy)phenylsilane
CID 3417473
(2-(9H-fluoren-2-yldimethylsilyl)phenyl)methanol
CID 73995342
9-tert-butylperoxy-9H-fluorene
CID 14434318
1-methyl-3-phenylmethoxy-2,3-dihydro-1H-indene
CID 134983217
9H-Fluorene, 9-(1,1-dimethylethoxy)-
CID 4557896
1-Phenylethoxy(diphenyl)silane
CID 11034062
9-Benzyl-9H-fluoren-9-ol
CID 12563520
9-Hydroperoxy-9-phenylfluorene
CID 13500378

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(9H-fluoren-9-yloxy)-phenylsilane?
The IUPAC name of tert-butyl-(9H-fluoren-9-yloxy)-phenylsilane (CID 162413233) is tert-butyl-(9H-fluoren-9-yloxy)-phenylsilane.
What is the SMILES notation for tert-butyl-(9H-fluoren-9-yloxy)-phenylsilane?
The canonical SMILES for tert-butyl-(9H-fluoren-9-yloxy)-phenylsilane is CC(C)(C)[Si@H](OC1c2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of tert-butyl-(9H-fluoren-9-yloxy)-phenylsilane?
The InChIKey is AVGXSMJOFLNRNS-RUZDIDTESA-N. The full InChI is InChI=1S/C23H24OSi/c1-23(2,3)25(17-11-5-4-6-12-17)24-22-20-15-9-7-13-18(20)19-14-8-10-16-21(19)22/h4-16,22,25H,1-3H3/t25-/m1/s1.
What are the key properties of tert-butyl-(9H-fluoren-9-yloxy)-phenylsilane?
tert-butyl-(9H-fluoren-9-yloxy)-phenylsilane has a molecular weight of 344.53 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(9H-fluoren-9-yloxy)-phenylsilane is sourced from PubChem (CID 162413233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).