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

C19H25FO3Si — CID 154209613

IUPACdi(propan-2-yloxy)methoxy-[4-(4-fluorophenyl)phenyl]silane
SMILESCC(C)OC(O[SiH2]c1ccc(-c2ccc(F)cc2)cc1)OC(C)C
InChIInChI=1S/C19H25FO3Si/c1-13(2)21-19(22-14(3)4)23-24-18-11-7-16(8-12-18)15-5-9-17(20)10-6-15/h5-14,19H,24H2,1-4H3
InChIKeyJUTRUZYJQSXRRZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.35
Rot. Bonds8

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

di(propan-2-yloxy)methoxy-[4-(4-fluorophenyl)phenyl]silane (PubChem CID 154209613) has the molecular formula C19H25FO3Si and a molecular weight of 348.49 g/mol. Its IUPAC name is di(propan-2-yloxy)methoxy-[4-(4-fluorophenyl)phenyl]silane.

Molecular Properties

Compound Namedi(propan-2-yloxy)methoxy-[4-(4-fluorophenyl)phenyl]silane
PubChem CID154209613
Molecular FormulaC19H25FO3Si
Molecular Weight348.49 g/mol
Exact Mass348.16
IUPAC Namedi(propan-2-yloxy)methoxy-[4-(4-fluorophenyl)phenyl]silane
SMILESCC(C)OC(O[SiH2]c1ccc(-c2ccc(F)cc2)cc1)OC(C)C
InChIInChI=1S/C19H25FO3Si/c1-13(2)21-19(22-14(3)4)23-24-18-11-7-16(8-12-18)15-5-9-17(20)10-6-15/h5-14,19H,24H2,1-4H3
InChIKeyJUTRUZYJQSXRRZ-UHFFFAOYSA-N
XLogP3.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of di(propan-2-yloxy)methoxy-[4-(4-fluorophenyl)phenyl]silane?
The IUPAC name of di(propan-2-yloxy)methoxy-[4-(4-fluorophenyl)phenyl]silane (CID 154209613) is di(propan-2-yloxy)methoxy-[4-(4-fluorophenyl)phenyl]silane.
What is the SMILES notation for di(propan-2-yloxy)methoxy-[4-(4-fluorophenyl)phenyl]silane?
The canonical SMILES for di(propan-2-yloxy)methoxy-[4-(4-fluorophenyl)phenyl]silane is CC(C)OC(O[SiH2]c1ccc(-c2ccc(F)cc2)cc1)OC(C)C.
What is the InChIKey of di(propan-2-yloxy)methoxy-[4-(4-fluorophenyl)phenyl]silane?
The InChIKey is JUTRUZYJQSXRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FO3Si/c1-13(2)21-19(22-14(3)4)23-24-18-11-7-16(8-12-18)15-5-9-17(20)10-6-15/h5-14,19H,24H2,1-4H3.
What are the key properties of di(propan-2-yloxy)methoxy-[4-(4-fluorophenyl)phenyl]silane?
di(propan-2-yloxy)methoxy-[4-(4-fluorophenyl)phenyl]silane has a molecular weight of 348.49 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)methoxy-[4-(4-fluorophenyl)phenyl]silane is sourced from PubChem (CID 154209613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).