tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane

C21H30O3Si — CID 11142897

IUPACtert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
SMILESCOC(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC
InChIInChI=1S/C21H30O3Si/c1-21(2,3)25(18-12-8-6-9-13-18,19-14-10-7-11-15-19)24-17-16-20(22-4)23-5/h6-15,20H,16-17H2,1-5H3
InChIKeyDYZCRFAMHAMIJQ-UHFFFAOYSA-N
MW358.55 g/mol
LogP3.57
Rot. Bonds8

About tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane

tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane (PubChem CID 11142897) has the molecular formula C21H30O3Si and a molecular weight of 358.55 g/mol. Its IUPAC name is tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
PubChem CID11142897
Molecular FormulaC21H30O3Si
Molecular Weight358.55 g/mol
Exact Mass358.20
IUPAC Nametert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
SMILESCOC(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC
InChIInChI=1S/C21H30O3Si/c1-21(2,3)25(18-12-8-6-9-13-18,19-14-10-7-11-15-19)24-17-16-20(22-4)23-5/h6-15,20H,16-17H2,1-5H3
InChIKeyDYZCRFAMHAMIJQ-UHFFFAOYSA-N
XLogP3.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.57
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'}

Analyze tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
CID 154423315
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405
tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane
CID 122215628
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
(3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol
CID 24795141
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-one
CID 24795140

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane (CID 11142897) is tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane is COC(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC.
What is the InChIKey of tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane?
The InChIKey is DYZCRFAMHAMIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O3Si/c1-21(2,3)25(18-12-8-6-9-13-18,19-14-10-7-11-15-19)24-17-16-20(22-4)23-5/h6-15,20H,16-17H2,1-5H3.
What are the key properties of tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane?
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane has a molecular weight of 358.55 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane is sourced from PubChem (CID 11142897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).