1-bicyclo[4.1.0]heptanyloxy-tert-butyl-dimethylsilane

C13H26OSi — CID 74412131

IUPAC1-bicyclo[4.1.0]heptanyloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC12CCCCC1C2
InChIInChI=1S/C13H26OSi/c1-12(2,3)15(4,5)14-13-9-7-6-8-11(13)10-13/h11H,6-10H2,1-5H3
InChIKeyRYRWFMUJGAIFHQ-UHFFFAOYSA-N
MW226.44 g/mol
LogP4.34
Rot. Bonds2

About 1-bicyclo[4.1.0]heptanyloxy-tert-butyl-dimethylsilane

1-bicyclo[4.1.0]heptanyloxy-tert-butyl-dimethylsilane (PubChem CID 74412131) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is 1-bicyclo[4.1.0]heptanyloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-bicyclo[4.1.0]heptanyloxy-tert-butyl-dimethylsilane
PubChem CID74412131
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name1-bicyclo[4.1.0]heptanyloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC12CCCCC1C2
InChIInChI=1S/C13H26OSi/c1-12(2,3)15(4,5)14-13-9-7-6-8-11(13)10-13/h11H,6-10H2,1-5H3
InChIKeyRYRWFMUJGAIFHQ-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.34
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 1-bicyclo[4.1.0]heptanyloxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-bicyclo[4.1.0]heptanyloxy-tert-butyl-dimethylsilane (CID 74412131) is 1-bicyclo[4.1.0]heptanyloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-bicyclo[4.1.0]heptanyloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-bicyclo[4.1.0]heptanyloxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC12CCCCC1C2.
What is the InChIKey of 1-bicyclo[4.1.0]heptanyloxy-tert-butyl-dimethylsilane?
The InChIKey is RYRWFMUJGAIFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-12(2,3)15(4,5)14-13-9-7-6-8-11(13)10-13/h11H,6-10H2,1-5H3.
What are the key properties of 1-bicyclo[4.1.0]heptanyloxy-tert-butyl-dimethylsilane?
1-bicyclo[4.1.0]heptanyloxy-tert-butyl-dimethylsilane has a molecular weight of 226.44 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[4.1.0]heptanyloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 74412131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).