tert-butyl-[3-(5-fluoro-2-methylphenyl)pentoxy]-dimethylsilane

C18H31FOSi — CID 123982496

IUPACtert-butyl-[3-(5-fluoro-2-methylphenyl)pentoxy]-dimethylsilane
SMILESCCC(CCO[Si](C)(C)C(C)(C)C)c1cc(F)ccc1C
InChIInChI=1S/C18H31FOSi/c1-8-15(17-13-16(19)10-9-14(17)2)11-12-20-21(6,7)18(3,4)5/h9-10,13,15H,8,11-12H2,1-7H3
InChIKeySJXCZLWKZZPZIX-UHFFFAOYSA-N
MW310.53 g/mol
LogP6.04
Rot. Bonds6

About tert-butyl-[3-(5-fluoro-2-methylphenyl)pentoxy]-dimethylsilane

tert-butyl-[3-(5-fluoro-2-methylphenyl)pentoxy]-dimethylsilane (PubChem CID 123982496) has the molecular formula C18H31FOSi and a molecular weight of 310.53 g/mol. Its IUPAC name is tert-butyl-[3-(5-fluoro-2-methylphenyl)pentoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(5-fluoro-2-methylphenyl)pentoxy]-dimethylsilane
PubChem CID123982496
Molecular FormulaC18H31FOSi
Molecular Weight310.53 g/mol
Exact Mass310.21
IUPAC Nametert-butyl-[3-(5-fluoro-2-methylphenyl)pentoxy]-dimethylsilane
SMILESCCC(CCO[Si](C)(C)C(C)(C)C)c1cc(F)ccc1C
InChIInChI=1S/C18H31FOSi/c1-8-15(17-13-16(19)10-9-14(17)2)11-12-20-21(6,7)18(3,4)5/h9-10,13,15H,8,11-12H2,1-7H3
InChIKeySJXCZLWKZZPZIX-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-[3-(5-fluoro-2-methylphenyl)pentoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(5-fluoro-2-methylphenyl)pentoxy]-dimethylsilane (CID 123982496) is tert-butyl-[3-(5-fluoro-2-methylphenyl)pentoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(5-fluoro-2-methylphenyl)pentoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(5-fluoro-2-methylphenyl)pentoxy]-dimethylsilane is CCC(CCO[Si](C)(C)C(C)(C)C)c1cc(F)ccc1C.
What is the InChIKey of tert-butyl-[3-(5-fluoro-2-methylphenyl)pentoxy]-dimethylsilane?
The InChIKey is SJXCZLWKZZPZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FOSi/c1-8-15(17-13-16(19)10-9-14(17)2)11-12-20-21(6,7)18(3,4)5/h9-10,13,15H,8,11-12H2,1-7H3.
What are the key properties of tert-butyl-[3-(5-fluoro-2-methylphenyl)pentoxy]-dimethylsilane?
tert-butyl-[3-(5-fluoro-2-methylphenyl)pentoxy]-dimethylsilane has a molecular weight of 310.53 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(5-fluoro-2-methylphenyl)pentoxy]-dimethylsilane is sourced from PubChem (CID 123982496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).