tert-butyl-[(2S,4S)-2,4-dimethyl-5-[5-(trifluoromethyl)furan-2-yl]pentoxy]-diphenylsilane

C28H35F3O2Si — CID 164684082

IUPACtert-butyl-[(2S,4S)-2,4-dimethyl-5-[5-(trifluoromethyl)furan-2-yl]pentoxy]-diphenylsilane
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](C)Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C28H35F3O2Si/c1-21(19-23-16-17-26(33-23)28(29,30)31)18-22(2)20-32-34(27(3,4)5,24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-17,21-22H,18-20H2,1-5H3/t21-,22-/m0/s1
InChIKeyYDJGLRSXAFUJJM-VXKWHMMOSA-N
MW488.67 g/mol
LogP7.08
Rot. Bonds9

About tert-butyl-[(2S,4S)-2,4-dimethyl-5-[5-(trifluoromethyl)furan-2-yl]pentoxy]-diphenylsilane

tert-butyl-[(2S,4S)-2,4-dimethyl-5-[5-(trifluoromethyl)furan-2-yl]pentoxy]-diphenylsilane (PubChem CID 164684082) has the molecular formula C28H35F3O2Si and a molecular weight of 488.67 g/mol. Its IUPAC name is tert-butyl-[(2S,4S)-2,4-dimethyl-5-[5-(trifluoromethyl)furan-2-yl]pentoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,4S)-2,4-dimethyl-5-[5-(trifluoromethyl)furan-2-yl]pentoxy]-diphenylsilane
PubChem CID164684082
Molecular FormulaC28H35F3O2Si
Molecular Weight488.67 g/mol
Exact Mass488.24
IUPAC Nametert-butyl-[(2S,4S)-2,4-dimethyl-5-[5-(trifluoromethyl)furan-2-yl]pentoxy]-diphenylsilane
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](C)Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C28H35F3O2Si/c1-21(19-23-16-17-26(33-23)28(29,30)31)18-22(2)20-32-34(27(3,4)5,24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-17,21-22H,18-20H2,1-5H3/t21-,22-/m0/s1
InChIKeyYDJGLRSXAFUJJM-VXKWHMMOSA-N
XLogP7.08
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.67
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(2S,4S)-2,4-dimethyl-5-[5-(trifluoromethyl)furan-2-yl]pentoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S,4S)-2,4-dimethyl-5-[5-(trifluoromethyl)furan-2-yl]pentoxy]-diphenylsilane (CID 164684082) is tert-butyl-[(2S,4S)-2,4-dimethyl-5-[5-(trifluoromethyl)furan-2-yl]pentoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S,4S)-2,4-dimethyl-5-[5-(trifluoromethyl)furan-2-yl]pentoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S,4S)-2,4-dimethyl-5-[5-(trifluoromethyl)furan-2-yl]pentoxy]-diphenylsilane is C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](C)Cc1ccc(C(F)(F)F)o1.
What is the InChIKey of tert-butyl-[(2S,4S)-2,4-dimethyl-5-[5-(trifluoromethyl)furan-2-yl]pentoxy]-diphenylsilane?
The InChIKey is YDJGLRSXAFUJJM-VXKWHMMOSA-N. The full InChI is InChI=1S/C28H35F3O2Si/c1-21(19-23-16-17-26(33-23)28(29,30)31)18-22(2)20-32-34(27(3,4)5,24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-17,21-22H,18-20H2,1-5H3/t21-,22-/m0/s1.
What are the key properties of tert-butyl-[(2S,4S)-2,4-dimethyl-5-[5-(trifluoromethyl)furan-2-yl]pentoxy]-diphenylsilane?
tert-butyl-[(2S,4S)-2,4-dimethyl-5-[5-(trifluoromethyl)furan-2-yl]pentoxy]-diphenylsilane has a molecular weight of 488.67 g/mol, XLogP of 7.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,4S)-2,4-dimethyl-5-[5-(trifluoromethyl)furan-2-yl]pentoxy]-diphenylsilane is sourced from PubChem (CID 164684082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).