tert-butyl-[(1-ethoxy-2,5,6,7-tetrahydrocyclobuta[e]inden-1-yl)oxy]-dimethylsilane

C19H30O2Si — CID 101263629

IUPACtert-butyl-[(1-ethoxy-2,5,6,7-tetrahydrocyclobuta[e]inden-1-yl)oxy]-dimethylsilane
SMILESCCOC1(O[Si](C)(C)C(C)(C)C)Cc2ccc3c(c21)CCC3
InChIInChI=1S/C19H30O2Si/c1-7-20-19(21-22(5,6)18(2,3)4)13-15-12-11-14-9-8-10-16(14)17(15)19/h11-12H,7-10,13H2,1-6H3
InChIKeyCRMNHGZDZVJJBP-UHFFFAOYSA-N
MW318.53 g/mol
LogP4.94
Rot. Bonds4

About tert-butyl-[(1-ethoxy-2,5,6,7-tetrahydrocyclobuta[e]inden-1-yl)oxy]-dimethylsilane

tert-butyl-[(1-ethoxy-2,5,6,7-tetrahydrocyclobuta[e]inden-1-yl)oxy]-dimethylsilane (PubChem CID 101263629) has the molecular formula C19H30O2Si and a molecular weight of 318.53 g/mol. Its IUPAC name is tert-butyl-[(1-ethoxy-2,5,6,7-tetrahydrocyclobuta[e]inden-1-yl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1-ethoxy-2,5,6,7-tetrahydrocyclobuta[e]inden-1-yl)oxy]-dimethylsilane
PubChem CID101263629
Molecular FormulaC19H30O2Si
Molecular Weight318.53 g/mol
Exact Mass318.20
IUPAC Nametert-butyl-[(1-ethoxy-2,5,6,7-tetrahydrocyclobuta[e]inden-1-yl)oxy]-dimethylsilane
SMILESCCOC1(O[Si](C)(C)C(C)(C)C)Cc2ccc3c(c21)CCC3
InChIInChI=1S/C19H30O2Si/c1-7-20-19(21-22(5,6)18(2,3)4)13-15-12-11-14-9-8-10-16(14)17(15)19/h11-12H,7-10,13H2,1-6H3
InChIKeyCRMNHGZDZVJJBP-UHFFFAOYSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 54.94
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-[(1-ethoxy-2,5,6,7-tetrahydrocyclobuta[e]inden-1-yl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1-ethoxy-2,5,6,7-tetrahydrocyclobuta[e]inden-1-yl)oxy]-dimethylsilane (CID 101263629) is tert-butyl-[(1-ethoxy-2,5,6,7-tetrahydrocyclobuta[e]inden-1-yl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1-ethoxy-2,5,6,7-tetrahydrocyclobuta[e]inden-1-yl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1-ethoxy-2,5,6,7-tetrahydrocyclobuta[e]inden-1-yl)oxy]-dimethylsilane is CCOC1(O[Si](C)(C)C(C)(C)C)Cc2ccc3c(c21)CCC3.
What is the InChIKey of tert-butyl-[(1-ethoxy-2,5,6,7-tetrahydrocyclobuta[e]inden-1-yl)oxy]-dimethylsilane?
The InChIKey is CRMNHGZDZVJJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2Si/c1-7-20-19(21-22(5,6)18(2,3)4)13-15-12-11-14-9-8-10-16(14)17(15)19/h11-12H,7-10,13H2,1-6H3.
What are the key properties of tert-butyl-[(1-ethoxy-2,5,6,7-tetrahydrocyclobuta[e]inden-1-yl)oxy]-dimethylsilane?
tert-butyl-[(1-ethoxy-2,5,6,7-tetrahydrocyclobuta[e]inden-1-yl)oxy]-dimethylsilane has a molecular weight of 318.53 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1-ethoxy-2,5,6,7-tetrahydrocyclobuta[e]inden-1-yl)oxy]-dimethylsilane is sourced from PubChem (CID 101263629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).