tert-butyl-[(4,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane

C15H30OSi — CID 140723747

IUPACtert-butyl-[(4,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane
SMILESCC1CCC2(O[Si](C)(C)C(C)(C)C)CC2(C)C1
InChIInChI=1S/C15H30OSi/c1-12-8-9-15(11-14(15,5)10-12)16-17(6,7)13(2,3)4/h12H,8-11H2,1-7H3
InChIKeyLAOIWHBVCWPFOW-UHFFFAOYSA-N
MW254.49 g/mol
LogP4.98
Rot. Bonds2

About tert-butyl-[(4,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane

tert-butyl-[(4,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane (PubChem CID 140723747) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is tert-butyl-[(4,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane
PubChem CID140723747
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Nametert-butyl-[(4,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane
SMILESCC1CCC2(O[Si](C)(C)C(C)(C)C)CC2(C)C1
InChIInChI=1S/C15H30OSi/c1-12-8-9-15(11-14(15,5)10-12)16-17(6,7)13(2,3)4/h12H,8-11H2,1-7H3
InChIKeyLAOIWHBVCWPFOW-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 54.98
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 tert-butyl-[(4,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(4,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane (CID 140723747) is tert-butyl-[(4,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(4,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane is CC1CCC2(O[Si](C)(C)C(C)(C)C)CC2(C)C1.
What is the InChIKey of tert-butyl-[(4,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane?
The InChIKey is LAOIWHBVCWPFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OSi/c1-12-8-9-15(11-14(15,5)10-12)16-17(6,7)13(2,3)4/h12H,8-11H2,1-7H3.
What are the key properties of tert-butyl-[(4,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane?
tert-butyl-[(4,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane has a molecular weight of 254.49 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane is sourced from PubChem (CID 140723747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).