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

C12H24O2Si — CID 13359946

IUPAC(7,7-dimethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane
SMILESCOC1(OC)C2CCCCC21[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-13-12(14-2)10-8-6-7-9-11(10,12)15(3,4)5/h10H,6-9H2,1-5H3
InChIKeyUCADUSIDFKFQGT-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.26
Rot. Bonds3

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

(7,7-dimethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane (PubChem CID 13359946) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (7,7-dimethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane.

Molecular Properties

Compound Name(7,7-dimethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane
PubChem CID13359946
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(7,7-dimethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane
SMILESCOC1(OC)C2CCCCC21[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-13-12(14-2)10-8-6-7-9-11(10,12)15(3,4)5/h10H,6-9H2,1-5H3
InChIKeyUCADUSIDFKFQGT-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.26
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-dimethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane?
The IUPAC name of (7,7-dimethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane (CID 13359946) is (7,7-dimethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane.
What is the SMILES notation for (7,7-dimethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane?
The canonical SMILES for (7,7-dimethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane is COC1(OC)C2CCCCC21[Si](C)(C)C.
What is the InChIKey of (7,7-dimethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane?
The InChIKey is UCADUSIDFKFQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-13-12(14-2)10-8-6-7-9-11(10,12)15(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of (7,7-dimethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane?
(7,7-dimethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane has a molecular weight of 228.41 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethoxy-1-bicyclo[4.1.0]heptanyl)-trimethylsilane is sourced from PubChem (CID 13359946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).