tert-butyl-[cycloheptyl(ethoxy)methyl]-dimethylsilane

C16H34OSi — CID 22447694

IUPACtert-butyl-[cycloheptyl(ethoxy)methyl]-dimethylsilane
SMILESCCOC(C1CCCCCC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34OSi/c1-7-17-15(18(5,6)16(2,3)4)14-12-10-8-9-11-13-14/h14-15H,7-13H2,1-6H3
InChIKeyBOHFGGFLUDKFJT-UHFFFAOYSA-N
MW270.53 g/mol
LogP5.41
Rot. Bonds4

About tert-butyl-[cycloheptyl(ethoxy)methyl]-dimethylsilane

tert-butyl-[cycloheptyl(ethoxy)methyl]-dimethylsilane (PubChem CID 22447694) has the molecular formula C16H34OSi and a molecular weight of 270.53 g/mol. Its IUPAC name is tert-butyl-[cycloheptyl(ethoxy)methyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[cycloheptyl(ethoxy)methyl]-dimethylsilane
PubChem CID22447694
Molecular FormulaC16H34OSi
Molecular Weight270.53 g/mol
Exact Mass270.24
IUPAC Nametert-butyl-[cycloheptyl(ethoxy)methyl]-dimethylsilane
SMILESCCOC(C1CCCCCC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34OSi/c1-7-17-15(18(5,6)16(2,3)4)14-12-10-8-9-11-13-14/h14-15H,7-13H2,1-6H3
InChIKeyBOHFGGFLUDKFJT-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.53
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[cycloheptyl(ethoxy)methyl]-dimethylsilane?
The IUPAC name of tert-butyl-[cycloheptyl(ethoxy)methyl]-dimethylsilane (CID 22447694) is tert-butyl-[cycloheptyl(ethoxy)methyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[cycloheptyl(ethoxy)methyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[cycloheptyl(ethoxy)methyl]-dimethylsilane is CCOC(C1CCCCCC1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[cycloheptyl(ethoxy)methyl]-dimethylsilane?
The InChIKey is BOHFGGFLUDKFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OSi/c1-7-17-15(18(5,6)16(2,3)4)14-12-10-8-9-11-13-14/h14-15H,7-13H2,1-6H3.
What are the key properties of tert-butyl-[cycloheptyl(ethoxy)methyl]-dimethylsilane?
tert-butyl-[cycloheptyl(ethoxy)methyl]-dimethylsilane has a molecular weight of 270.53 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[cycloheptyl(ethoxy)methyl]-dimethylsilane is sourced from PubChem (CID 22447694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).