tert-butyl-[2-fluoro-4-(1-pentyl-1-phenylsilinan-4-yl)phenoxy]-dimethylsilane

C28H43FOSi2 — CID 57235948

IUPACtert-butyl-[2-fluoro-4-(1-pentyl-1-phenylsilinan-4-yl)phenoxy]-dimethylsilane
SMILESCCCCC[Si]1(c2ccccc2)CCC(c2ccc(O[Si](C)(C)C(C)(C)C)c(F)c2)CC1
InChIInChI=1S/C28H43FOSi2/c1-7-8-12-19-32(25-13-10-9-11-14-25)20-17-23(18-21-32)24-15-16-27(26(29)22-24)30-31(5,6)28(2,3)4/h9-11,13-16,22-23H,7-8,12,17-21H2,1-6H3
InChIKeyMHVPRIZYEJASLQ-UHFFFAOYSA-N
MW470.82 g/mol
LogP8.63
Rot. Bonds8

About tert-butyl-[2-fluoro-4-(1-pentyl-1-phenylsilinan-4-yl)phenoxy]-dimethylsilane

tert-butyl-[2-fluoro-4-(1-pentyl-1-phenylsilinan-4-yl)phenoxy]-dimethylsilane (PubChem CID 57235948) has the molecular formula C28H43FOSi2 and a molecular weight of 470.82 g/mol. Its IUPAC name is tert-butyl-[2-fluoro-4-(1-pentyl-1-phenylsilinan-4-yl)phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-fluoro-4-(1-pentyl-1-phenylsilinan-4-yl)phenoxy]-dimethylsilane
PubChem CID57235948
Molecular FormulaC28H43FOSi2
Molecular Weight470.82 g/mol
Exact Mass470.28
IUPAC Nametert-butyl-[2-fluoro-4-(1-pentyl-1-phenylsilinan-4-yl)phenoxy]-dimethylsilane
SMILESCCCCC[Si]1(c2ccccc2)CCC(c2ccc(O[Si](C)(C)C(C)(C)C)c(F)c2)CC1
InChIInChI=1S/C28H43FOSi2/c1-7-8-12-19-32(25-13-10-9-11-14-25)20-17-23(18-21-32)24-15-16-27(26(29)22-24)30-31(5,6)28(2,3)4/h9-11,13-16,22-23H,7-8,12,17-21H2,1-6H3
InChIKeyMHVPRIZYEJASLQ-UHFFFAOYSA-N
XLogP8.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.82
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-fluoro-4-(1-pentyl-1-phenylsilinan-4-yl)phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-fluoro-4-(1-pentyl-1-phenylsilinan-4-yl)phenoxy]-dimethylsilane (CID 57235948) is tert-butyl-[2-fluoro-4-(1-pentyl-1-phenylsilinan-4-yl)phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-fluoro-4-(1-pentyl-1-phenylsilinan-4-yl)phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-fluoro-4-(1-pentyl-1-phenylsilinan-4-yl)phenoxy]-dimethylsilane is CCCCC[Si]1(c2ccccc2)CCC(c2ccc(O[Si](C)(C)C(C)(C)C)c(F)c2)CC1.
What is the InChIKey of tert-butyl-[2-fluoro-4-(1-pentyl-1-phenylsilinan-4-yl)phenoxy]-dimethylsilane?
The InChIKey is MHVPRIZYEJASLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43FOSi2/c1-7-8-12-19-32(25-13-10-9-11-14-25)20-17-23(18-21-32)24-15-16-27(26(29)22-24)30-31(5,6)28(2,3)4/h9-11,13-16,22-23H,7-8,12,17-21H2,1-6H3.
What are the key properties of tert-butyl-[2-fluoro-4-(1-pentyl-1-phenylsilinan-4-yl)phenoxy]-dimethylsilane?
tert-butyl-[2-fluoro-4-(1-pentyl-1-phenylsilinan-4-yl)phenoxy]-dimethylsilane has a molecular weight of 470.82 g/mol, XLogP of 8.63, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-fluoro-4-(1-pentyl-1-phenylsilinan-4-yl)phenoxy]-dimethylsilane is sourced from PubChem (CID 57235948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).