2-bicyclo[2.2.1]heptanylmethoxy-tert-butyl-dimethylsilane

C14H28OSi — CID 91697317

IUPAC2-bicyclo[2.2.1]heptanylmethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CC2CCC1C2
InChIInChI=1S/C14H28OSi/c1-14(2,3)16(4,5)15-10-13-9-11-6-7-12(13)8-11/h11-13H,6-10H2,1-5H3
InChIKeySTUVSPLKKFBCEF-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.44
Rot. Bonds3

About 2-bicyclo[2.2.1]heptanylmethoxy-tert-butyl-dimethylsilane

2-bicyclo[2.2.1]heptanylmethoxy-tert-butyl-dimethylsilane (PubChem CID 91697317) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanylmethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanylmethoxy-tert-butyl-dimethylsilane
PubChem CID91697317
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name2-bicyclo[2.2.1]heptanylmethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CC2CCC1C2
InChIInChI=1S/C14H28OSi/c1-14(2,3)16(4,5)15-10-13-9-11-6-7-12(13)8-11/h11-13H,6-10H2,1-5H3
InChIKeySTUVSPLKKFBCEF-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.44
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 2-bicyclo[2.2.1]heptanylmethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-bicyclo[2.2.1]heptanylmethoxy-tert-butyl-dimethylsilane (CID 91697317) is 2-bicyclo[2.2.1]heptanylmethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanylmethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-bicyclo[2.2.1]heptanylmethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanylmethoxy-tert-butyl-dimethylsilane?
The InChIKey is STUVSPLKKFBCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-14(2,3)16(4,5)15-10-13-9-11-6-7-12(13)8-11/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-bicyclo[2.2.1]heptanylmethoxy-tert-butyl-dimethylsilane?
2-bicyclo[2.2.1]heptanylmethoxy-tert-butyl-dimethylsilane has a molecular weight of 240.46 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanylmethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 91697317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).