tert-butyl-cyclohexyl-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]-propan-2-ylsilane

C22H28F6OSi — CID 173235393

IUPACtert-butyl-cyclohexyl-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]-propan-2-ylsilane
SMILESCC(C)[Si](Oc1c(F)c(F)c2c(c1F)C(F)=C(F)C2F)(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C22H28F6OSi/c1-11(2)30(22(3,4)5,12-9-7-6-8-10-12)29-21-18(26)14-13(17(25)20(21)28)15(23)19(27)16(14)24/h11-12,15H,6-10H2,1-5H3
InChIKeyKPWZSDLWZYNRTA-UHFFFAOYSA-N
MW450.54 g/mol
LogP8.60
Rot. Bonds4

About tert-butyl-cyclohexyl-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]-propan-2-ylsilane

tert-butyl-cyclohexyl-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]-propan-2-ylsilane (PubChem CID 173235393) has the molecular formula C22H28F6OSi and a molecular weight of 450.54 g/mol. Its IUPAC name is tert-butyl-cyclohexyl-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]-propan-2-ylsilane.

Molecular Properties

Compound Nametert-butyl-cyclohexyl-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]-propan-2-ylsilane
PubChem CID173235393
Molecular FormulaC22H28F6OSi
Molecular Weight450.54 g/mol
Exact Mass450.18
IUPAC Nametert-butyl-cyclohexyl-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]-propan-2-ylsilane
SMILESCC(C)[Si](Oc1c(F)c(F)c2c(c1F)C(F)=C(F)C2F)(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C22H28F6OSi/c1-11(2)30(22(3,4)5,12-9-7-6-8-10-12)29-21-18(26)14-13(17(25)20(21)28)15(23)19(27)16(14)24/h11-12,15H,6-10H2,1-5H3
InChIKeyKPWZSDLWZYNRTA-UHFFFAOYSA-N
XLogP8.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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-cyclohexyl-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]-propan-2-ylsilane?
The IUPAC name of tert-butyl-cyclohexyl-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]-propan-2-ylsilane (CID 173235393) is tert-butyl-cyclohexyl-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]-propan-2-ylsilane.
What is the SMILES notation for tert-butyl-cyclohexyl-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]-propan-2-ylsilane?
The canonical SMILES for tert-butyl-cyclohexyl-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]-propan-2-ylsilane is CC(C)[Si](Oc1c(F)c(F)c2c(c1F)C(F)=C(F)C2F)(C1CCCCC1)C(C)(C)C.
What is the InChIKey of tert-butyl-cyclohexyl-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]-propan-2-ylsilane?
The InChIKey is KPWZSDLWZYNRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F6OSi/c1-11(2)30(22(3,4)5,12-9-7-6-8-10-12)29-21-18(26)14-13(17(25)20(21)28)15(23)19(27)16(14)24/h11-12,15H,6-10H2,1-5H3.
What are the key properties of tert-butyl-cyclohexyl-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]-propan-2-ylsilane?
tert-butyl-cyclohexyl-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]-propan-2-ylsilane has a molecular weight of 450.54 g/mol, XLogP of 8.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-cyclohexyl-[(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy]-propan-2-ylsilane is sourced from PubChem (CID 173235393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).