tert-butyl-[1-(2,2-dimethoxyethyl)cyclopropyl]oxy-dimethylsilane

C13H28O3Si — CID 90299540

IUPACtert-butyl-[1-(2,2-dimethoxyethyl)cyclopropyl]oxy-dimethylsilane
SMILESCOC(CC1(O[Si](C)(C)C(C)(C)C)CC1)OC
InChIInChI=1S/C13H28O3Si/c1-12(2,3)17(6,7)16-13(8-9-13)10-11(14-4)15-5/h11H,8-10H2,1-7H3
InChIKeyIPZJKORPJOCDNN-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.55
Rot. Bonds6

About tert-butyl-[1-(2,2-dimethoxyethyl)cyclopropyl]oxy-dimethylsilane

tert-butyl-[1-(2,2-dimethoxyethyl)cyclopropyl]oxy-dimethylsilane (PubChem CID 90299540) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is tert-butyl-[1-(2,2-dimethoxyethyl)cyclopropyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(2,2-dimethoxyethyl)cyclopropyl]oxy-dimethylsilane
PubChem CID90299540
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Nametert-butyl-[1-(2,2-dimethoxyethyl)cyclopropyl]oxy-dimethylsilane
SMILESCOC(CC1(O[Si](C)(C)C(C)(C)C)CC1)OC
InChIInChI=1S/C13H28O3Si/c1-12(2,3)17(6,7)16-13(8-9-13)10-11(14-4)15-5/h11H,8-10H2,1-7H3
InChIKeyIPZJKORPJOCDNN-UHFFFAOYSA-N
XLogP3.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.55
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(2,2-dimethoxyethyl)cyclopropyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-(2,2-dimethoxyethyl)cyclopropyl]oxy-dimethylsilane (CID 90299540) is tert-butyl-[1-(2,2-dimethoxyethyl)cyclopropyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(2,2-dimethoxyethyl)cyclopropyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(2,2-dimethoxyethyl)cyclopropyl]oxy-dimethylsilane is COC(CC1(O[Si](C)(C)C(C)(C)C)CC1)OC.
What is the InChIKey of tert-butyl-[1-(2,2-dimethoxyethyl)cyclopropyl]oxy-dimethylsilane?
The InChIKey is IPZJKORPJOCDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-12(2,3)17(6,7)16-13(8-9-13)10-11(14-4)15-5/h11H,8-10H2,1-7H3.
What are the key properties of tert-butyl-[1-(2,2-dimethoxyethyl)cyclopropyl]oxy-dimethylsilane?
tert-butyl-[1-(2,2-dimethoxyethyl)cyclopropyl]oxy-dimethylsilane has a molecular weight of 260.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(2,2-dimethoxyethyl)cyclopropyl]oxy-dimethylsilane is sourced from PubChem (CID 90299540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).