tert-butyl-[(3-ethoxy-3-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-trienyl)oxy]-dimethylsilane

C18H28O2Si — CID 101263628

IUPACtert-butyl-[(3-ethoxy-3-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-trienyl)oxy]-dimethylsilane
SMILESCCOC1(O[Si](C)(C)C(C)(C)C)Cc2ccc3c(c21)CC3
InChIInChI=1S/C18H28O2Si/c1-7-19-18(20-21(5,6)17(2,3)4)12-14-9-8-13-10-11-15(13)16(14)18/h8-9H,7,10-12H2,1-6H3
InChIKeyASCJZCUMXQZHSJ-UHFFFAOYSA-N
MW304.51 g/mol
LogP4.55
Rot. Bonds4

About tert-butyl-[(3-ethoxy-3-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-trienyl)oxy]-dimethylsilane

tert-butyl-[(3-ethoxy-3-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-trienyl)oxy]-dimethylsilane (PubChem CID 101263628) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is tert-butyl-[(3-ethoxy-3-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-trienyl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3-ethoxy-3-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-trienyl)oxy]-dimethylsilane
PubChem CID101263628
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Nametert-butyl-[(3-ethoxy-3-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-trienyl)oxy]-dimethylsilane
SMILESCCOC1(O[Si](C)(C)C(C)(C)C)Cc2ccc3c(c21)CC3
InChIInChI=1S/C18H28O2Si/c1-7-19-18(20-21(5,6)17(2,3)4)12-14-9-8-13-10-11-15(13)16(14)18/h8-9H,7,10-12H2,1-6H3
InChIKeyASCJZCUMXQZHSJ-UHFFFAOYSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 54.55
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 tert-butyl-[(3-ethoxy-3-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-trienyl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3-ethoxy-3-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-trienyl)oxy]-dimethylsilane (CID 101263628) is tert-butyl-[(3-ethoxy-3-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-trienyl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3-ethoxy-3-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-trienyl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3-ethoxy-3-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-trienyl)oxy]-dimethylsilane is CCOC1(O[Si](C)(C)C(C)(C)C)Cc2ccc3c(c21)CC3.
What is the InChIKey of tert-butyl-[(3-ethoxy-3-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-trienyl)oxy]-dimethylsilane?
The InChIKey is ASCJZCUMXQZHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2Si/c1-7-19-18(20-21(5,6)17(2,3)4)12-14-9-8-13-10-11-15(13)16(14)18/h8-9H,7,10-12H2,1-6H3.
What are the key properties of tert-butyl-[(3-ethoxy-3-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-trienyl)oxy]-dimethylsilane?
tert-butyl-[(3-ethoxy-3-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-trienyl)oxy]-dimethylsilane has a molecular weight of 304.51 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3-ethoxy-3-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-trienyl)oxy]-dimethylsilane is sourced from PubChem (CID 101263628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).