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

C20H25F3O3Si — CID 90170531

IUPACmethoxy-di(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
SMILESCO[Si](OC(C)C)(OC(C)C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H25F3O3Si/c1-14(2)25-27(24-5,26-15(3)4)19-12-8-17(9-13-19)16-6-10-18(11-7-16)20(21,22)23/h6-15H,1-5H3
InChIKeyFIDQBMMGJCIPBL-UHFFFAOYSA-N
MW398.50 g/mol
LogP5.01
Rot. Bonds7

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

methoxy-di(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane (PubChem CID 90170531) has the molecular formula C20H25F3O3Si and a molecular weight of 398.50 g/mol. Its IUPAC name is methoxy-di(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane.

Molecular Properties

Compound Namemethoxy-di(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
PubChem CID90170531
Molecular FormulaC20H25F3O3Si
Molecular Weight398.50 g/mol
Exact Mass398.15
IUPAC Namemethoxy-di(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
SMILESCO[Si](OC(C)C)(OC(C)C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H25F3O3Si/c1-14(2)25-27(24-5,26-15(3)4)19-12-8-17(9-13-19)16-6-10-18(11-7-16)20(21,22)23/h6-15H,1-5H3
InChIKeyFIDQBMMGJCIPBL-UHFFFAOYSA-N
XLogP5.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.50
LogP ≤ 55.01
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

tri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90171331
[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane
CID 90174042
trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172461
(4-iodophenyl)-methoxy-di(propan-2-yloxy)silane
CID 23496503
[4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane
CID 90171280
trihydroxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172329
methoxy-di(propan-2-yloxy)-[2-[4-(trifluoromethyl)phenyl]ethyl]silane
CID 90173870
ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90173483
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 59729397
dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90175181
dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90171711

Frequently Asked Questions

What is the IUPAC name of methoxy-di(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane?
The IUPAC name of methoxy-di(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane (CID 90170531) is methoxy-di(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane.
What is the SMILES notation for methoxy-di(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane?
The canonical SMILES for methoxy-di(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane is CO[Si](OC(C)C)(OC(C)C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of methoxy-di(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane?
The InChIKey is FIDQBMMGJCIPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3O3Si/c1-14(2)25-27(24-5,26-15(3)4)19-12-8-17(9-13-19)16-6-10-18(11-7-16)20(21,22)23/h6-15H,1-5H3.
What are the key properties of methoxy-di(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane?
methoxy-di(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane has a molecular weight of 398.50 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-di(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane is sourced from PubChem (CID 90170531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).