tert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane

C22H29FOSi — CID 163904820

IUPACtert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane
SMILESCCC(=CF)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H29FOSi/c1-5-19(18-23)16-17-24-25(22(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18H,5,16-17H2,1-4H3
InChIKeyZIPOQIUMHGEFOQ-UHFFFAOYSA-N
MW356.56 g/mol
LogP5.22
Rot. Bonds7

About tert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane

tert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane (PubChem CID 163904820) has the molecular formula C22H29FOSi and a molecular weight of 356.56 g/mol. Its IUPAC name is tert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane
PubChem CID163904820
Molecular FormulaC22H29FOSi
Molecular Weight356.56 g/mol
Exact Mass356.20
IUPAC Nametert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane
SMILESCCC(=CF)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H29FOSi/c1-5-19(18-23)16-17-24-25(22(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18H,5,16-17H2,1-4H3
InChIKeyZIPOQIUMHGEFOQ-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.56
LogP ≤ 55.22
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

(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069
(Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol
CID 59717822
1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol
CID 67767772
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane
CID 10624878
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356
tert-butyl-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-diphenylsilane
CID 68632670
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol
CID 10740934
4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
CID 165343479

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane (CID 163904820) is tert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane is CCC(=CF)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane?
The InChIKey is ZIPOQIUMHGEFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FOSi/c1-5-19(18-23)16-17-24-25(22(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18H,5,16-17H2,1-4H3.
What are the key properties of tert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane?
tert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane has a molecular weight of 356.56 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane is sourced from PubChem (CID 163904820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).