(7,7-diethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane

C14H28O2Si — CID 13359948

IUPAC(7,7-diethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane
SMILESCCOC1(OCC)C2CCCCC21[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-6-15-14(16-7-2)12-10-8-9-11-13(12,14)17(3,4)5/h12H,6-11H2,1-5H3
InChIKeyGPJLLKJSNINXKZ-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.04
Rot. Bonds5

About (7,7-diethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane

(7,7-diethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane (PubChem CID 13359948) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (7,7-diethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane.

Molecular Properties

Compound Name(7,7-diethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane
PubChem CID13359948
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(7,7-diethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane
SMILESCCOC1(OCC)C2CCCCC21[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-6-15-14(16-7-2)12-10-8-9-11-13(12,14)17(3,4)5/h12H,6-11H2,1-5H3
InChIKeyGPJLLKJSNINXKZ-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (7,7-diethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane?
The IUPAC name of (7,7-diethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane (CID 13359948) is (7,7-diethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane.
What is the SMILES notation for (7,7-diethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane?
The canonical SMILES for (7,7-diethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane is CCOC1(OCC)C2CCCCC21[Si](C)(C)C.
What is the InChIKey of (7,7-diethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane?
The InChIKey is GPJLLKJSNINXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-6-15-14(16-7-2)12-10-8-9-11-13(12,14)17(3,4)5/h12H,6-11H2,1-5H3.
What are the key properties of (7,7-diethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane?
(7,7-diethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane has a molecular weight of 256.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-diethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane is sourced from PubChem (CID 13359948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).