tert-butyl-[[4-(diethoxymethyl)phenyl]methoxy]-dimethylsilane

C18H32O3Si — CID 10496235

IUPACtert-butyl-[[4-(diethoxymethyl)phenyl]methoxy]-dimethylsilane
SMILESCCOC(OCC)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H32O3Si/c1-8-19-17(20-9-2)16-12-10-15(11-13-16)14-21-22(6,7)18(3,4)5/h10-13,17H,8-9,14H2,1-7H3
InChIKeyKJZRVOMZUPYCSP-UHFFFAOYSA-N
MW324.54 g/mol
LogP5.28
Rot. Bonds8

About tert-butyl-[[4-(diethoxymethyl)phenyl]methoxy]-dimethylsilane

tert-butyl-[[4-(diethoxymethyl)phenyl]methoxy]-dimethylsilane (PubChem CID 10496235) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is tert-butyl-[[4-(diethoxymethyl)phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-(diethoxymethyl)phenyl]methoxy]-dimethylsilane
PubChem CID10496235
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Nametert-butyl-[[4-(diethoxymethyl)phenyl]methoxy]-dimethylsilane
SMILESCCOC(OCC)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H32O3Si/c1-8-19-17(20-9-2)16-12-10-15(11-13-16)14-21-22(6,7)18(3,4)5/h10-13,17H,8-9,14H2,1-7H3
InChIKeyKJZRVOMZUPYCSP-UHFFFAOYSA-N
XLogP5.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.54
LogP ≤ 55.28
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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Related Compounds

CID 69884
CID 69884
CID 22235151
CID 22235151
CID 81572
CID 81572
CID 74268
CID 74268
CID 76932
CID 76932
CID 105591
CID 105591
CID 7021458
CID 7021458
CID 90160
CID 90160
CID 75469
CID 75469
CID 219171
CID 219171
CID 3065686
CID 3065686
CID 44719720
CID 44719720

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-(diethoxymethyl)phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-(diethoxymethyl)phenyl]methoxy]-dimethylsilane (CID 10496235) is tert-butyl-[[4-(diethoxymethyl)phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-(diethoxymethyl)phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-(diethoxymethyl)phenyl]methoxy]-dimethylsilane is CCOC(OCC)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[[4-(diethoxymethyl)phenyl]methoxy]-dimethylsilane?
The InChIKey is KJZRVOMZUPYCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-8-19-17(20-9-2)16-12-10-15(11-13-16)14-21-22(6,7)18(3,4)5/h10-13,17H,8-9,14H2,1-7H3.
What are the key properties of tert-butyl-[[4-(diethoxymethyl)phenyl]methoxy]-dimethylsilane?
tert-butyl-[[4-(diethoxymethyl)phenyl]methoxy]-dimethylsilane has a molecular weight of 324.54 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-(diethoxymethyl)phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 10496235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).