CID 87467012

C18H24F3O5SSi — CID 87467012

IUPAC—
SMILESC[Si](C)OC1=C(OS(=O)(=O)C(F)(F)F)c2ccc(C(C)(C)C)cc2OC1(C)C
InChIInChI=1S/C18H24F3O5SSi/c1-16(2,3)11-8-9-12-13(10-11)24-17(4,5)15(26-28(6)7)14(12)25-27(22,23)18(19,20)21/h8-10H,1-7H3
InChIKeyLULAUXWZJDJGGS-UHFFFAOYSA-N
MW437.53 g/mol
LogP4.96
Rot. Bonds4

About CID 87467012

CID 87467012 (PubChem CID 87467012) has the molecular formula C18H24F3O5SSi and a molecular weight of 437.53 g/mol.

Molecular Properties

Compound NameCID 87467012
PubChem CID87467012
Molecular FormulaC18H24F3O5SSi
Molecular Weight437.53 g/mol
Exact Mass437.11
IUPAC Name—
SMILESC[Si](C)OC1=C(OS(=O)(=O)C(F)(F)F)c2ccc(C(C)(C)C)cc2OC1(C)C
InChIInChI=1S/C18H24F3O5SSi/c1-16(2,3)11-8-9-12-13(10-11)24-17(4,5)15(26-28(6)7)14(12)25-27(22,23)18(19,20)21/h8-10H,1-7H3
InChIKeyLULAUXWZJDJGGS-UHFFFAOYSA-N
XLogP4.96
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

(7-tert-butyl-2,2-dimethylchromen-4-yl) trifluoromethanesulfonate
CID 118325079
(4-tert-butyl-2-phenylphenyl) trifluoromethanesulfonate
CID 172878022
(3-tert-butylphenyl) trifluoromethanesulfonate
CID 22261847
(2,2-dimethyl-4-phenylchromen-7-yl) trifluoromethanesulfonate
CID 59443090
[2,2-dimethyl-4-(trifluoromethyl)chromen-7-yl] trifluoromethanesulfonate
CID 174600169
(2,2,7-trimethyl-1,3-benzoxazin-4-yl) trifluoromethanesulfonate
CID 10829731
(4-tert-butyl-2-iodophenyl) trifluoromethanesulfonate
CID 121223682
(8-tert-butyldibenzofuran-2-yl) trifluoromethanesulfonate
CID 134471977
(1-methoxy-6,6,9-trimethylbenzo[c]chromen-3-yl) trifluoromethanesulfonate
CID 165112761
(7-ethoxy-2,2-dimethyl-1,3-benzoxazin-4-yl) trifluoromethanesulfonate
CID 10594204
(2,2,6-trimethylchromen-4-yl) trifluoromethanesulfonate
CID 101273068
(2,6-ditert-butylphenyl) trifluoromethanesulfonate
CID 87391356

Frequently Asked Questions

What is the IUPAC name of CID 87467012?
The IUPAC name of CID 87467012 (CID 87467012) is not available.
What is the SMILES notation for CID 87467012?
The canonical SMILES for CID 87467012 is C[Si](C)OC1=C(OS(=O)(=O)C(F)(F)F)c2ccc(C(C)(C)C)cc2OC1(C)C.
What is the InChIKey of CID 87467012?
The InChIKey is LULAUXWZJDJGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3O5SSi/c1-16(2,3)11-8-9-12-13(10-11)24-17(4,5)15(26-28(6)7)14(12)25-27(22,23)18(19,20)21/h8-10H,1-7H3.
What are the key properties of CID 87467012?
CID 87467012 has a molecular weight of 437.53 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87467012 is sourced from PubChem (CID 87467012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).