ditert-butyl(3-phenylpropoxy)silane

C17H30OSi — CID 554567

IUPACditert-butyl(3-phenylpropoxy)silane
SMILESCC(C)(C)[SiH](OCCCc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H30OSi/c1-16(2,3)19(17(4,5)6)18-14-10-13-15-11-8-7-9-12-15/h7-9,11-12,19H,10,13-14H2,1-6H3
InChIKeyFRONREQBRZQGTB-UHFFFAOYSA-N
MW278.51 g/mol
LogP4.96
Rot. Bonds5

About ditert-butyl(3-phenylpropoxy)silane

ditert-butyl(3-phenylpropoxy)silane (PubChem CID 554567) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is ditert-butyl(3-phenylpropoxy)silane.

Molecular Properties

Compound Nameditert-butyl(3-phenylpropoxy)silane
PubChem CID554567
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Nameditert-butyl(3-phenylpropoxy)silane
SMILESCC(C)(C)[SiH](OCCCc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H30OSi/c1-16(2,3)19(17(4,5)6)18-14-10-13-15-11-8-7-9-12-15/h7-9,11-12,19H,10,13-14H2,1-6H3
InChIKeyFRONREQBRZQGTB-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ditert-butyl(3-phenylpropoxy)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 ditert-butyl(3-phenylpropoxy)silane?
The IUPAC name of ditert-butyl(3-phenylpropoxy)silane (CID 554567) is ditert-butyl(3-phenylpropoxy)silane.
What is the SMILES notation for ditert-butyl(3-phenylpropoxy)silane?
The canonical SMILES for ditert-butyl(3-phenylpropoxy)silane is CC(C)(C)[SiH](OCCCc1ccccc1)C(C)(C)C.
What is the InChIKey of ditert-butyl(3-phenylpropoxy)silane?
The InChIKey is FRONREQBRZQGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OSi/c1-16(2,3)19(17(4,5)6)18-14-10-13-15-11-8-7-9-12-15/h7-9,11-12,19H,10,13-14H2,1-6H3.
What are the key properties of ditert-butyl(3-phenylpropoxy)silane?
ditert-butyl(3-phenylpropoxy)silane has a molecular weight of 278.51 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(3-phenylpropoxy)silane is sourced from PubChem (CID 554567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).