tri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane

C22H29F3O3Si — CID 90171331

IUPACtri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
SMILESCC(C)O[Si](OC(C)C)(OC(C)C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H29F3O3Si/c1-15(2)26-29(27-16(3)4,28-17(5)6)21-13-9-19(10-14-21)18-7-11-20(12-8-18)22(23,24)25/h7-17H,1-6H3
InChIKeyVIJKGKHIDNOLAN-UHFFFAOYSA-N
MW426.55 g/mol
LogP5.79
Rot. Bonds8

About tri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane

tri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane (PubChem CID 90171331) has the molecular formula C22H29F3O3Si and a molecular weight of 426.55 g/mol. Its IUPAC name is tri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane.

Molecular Properties

Compound Nametri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
PubChem CID90171331
Molecular FormulaC22H29F3O3Si
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC Nametri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
SMILESCC(C)O[Si](OC(C)C)(OC(C)C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H29F3O3Si/c1-15(2)26-29(27-16(3)4,28-17(5)6)21-13-9-19(10-14-21)18-7-11-20(12-8-18)22(23,24)25/h7-17H,1-6H3
InChIKeyVIJKGKHIDNOLAN-UHFFFAOYSA-N
XLogP5.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.55
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methoxy-di(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90170531
[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane
CID 90174042
trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172461
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
trihydroxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172329
trimethyl-[4-[2,4,6-tris[4-(trifluoromethyl)phenyl]-3,5-bis(4-trimethylsilylphenyl)phenyl]phenyl]silane
CID 102366685
methoxy-di(propan-2-yloxy)-[2-[4-(trifluoromethyl)phenyl]ethyl]silane
CID 90173870
(1S)-2-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
CID 171231162
1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 59729397
trimethyl-[4-[4-[7-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]phenyl]silane
CID 169293833
[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane
CID 90173471
3,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134623472

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane?
The IUPAC name of tri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane (CID 90171331) is tri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane.
What is the SMILES notation for tri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane?
The canonical SMILES for tri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane is CC(C)O[Si](OC(C)C)(OC(C)C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of tri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane?
The InChIKey is VIJKGKHIDNOLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3O3Si/c1-15(2)26-29(27-16(3)4,28-17(5)6)21-13-9-19(10-14-21)18-7-11-20(12-8-18)22(23,24)25/h7-17H,1-6H3.
What are the key properties of tri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane?
tri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane has a molecular weight of 426.55 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane is sourced from PubChem (CID 90171331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).