tert-butyl-dimethyl-[(3-phenoxyphenyl)methoxy]silane

C19H26O2Si — CID 91739085

IUPACtert-butyl-dimethyl-[(3-phenoxyphenyl)methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H26O2Si/c1-19(2,3)22(4,5)20-15-16-10-9-13-18(14-16)21-17-11-7-6-8-12-17/h6-14H,15H2,1-5H3
InChIKeyKFAUFJZRPFDUSQ-UHFFFAOYSA-N
MW314.50 g/mol
LogP6.00
Rot. Bonds5

About tert-butyl-dimethyl-[(3-phenoxyphenyl)methoxy]silane

tert-butyl-dimethyl-[(3-phenoxyphenyl)methoxy]silane (PubChem CID 91739085) has the molecular formula C19H26O2Si and a molecular weight of 314.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3-phenoxyphenyl)methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3-phenoxyphenyl)methoxy]silane
PubChem CID91739085
Molecular FormulaC19H26O2Si
Molecular Weight314.50 g/mol
Exact Mass314.17
IUPAC Nametert-butyl-dimethyl-[(3-phenoxyphenyl)methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H26O2Si/c1-19(2,3)22(4,5)20-15-16-10-9-13-18(14-16)21-17-11-7-6-8-12-17/h6-14H,15H2,1-5H3
InChIKeyKFAUFJZRPFDUSQ-UHFFFAOYSA-N
XLogP6.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.50
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(3-phenoxyphenyl)methoxy]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3-phenoxyphenyl)methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3-phenoxyphenyl)methoxy]silane (CID 91739085) is tert-butyl-dimethyl-[(3-phenoxyphenyl)methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3-phenoxyphenyl)methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3-phenoxyphenyl)methoxy]silane is CC(C)(C)[Si](C)(C)OCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of tert-butyl-dimethyl-[(3-phenoxyphenyl)methoxy]silane?
The InChIKey is KFAUFJZRPFDUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2Si/c1-19(2,3)22(4,5)20-15-16-10-9-13-18(14-16)21-17-11-7-6-8-12-17/h6-14H,15H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[(3-phenoxyphenyl)methoxy]silane?
tert-butyl-dimethyl-[(3-phenoxyphenyl)methoxy]silane has a molecular weight of 314.50 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3-phenoxyphenyl)methoxy]silane is sourced from PubChem (CID 91739085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).