tert-butyl-[(1-ethoxy-5,6,7,8-tetrahydro-2H-cyclobuta[a]naphthalen-1-yl)oxy]-dimethylsilane

C20H32O2Si — CID 101263630

IUPACtert-butyl-[(1-ethoxy-5,6,7,8-tetrahydro-2H-cyclobuta[a]naphthalen-1-yl)oxy]-dimethylsilane
SMILESCCOC1(O[Si](C)(C)C(C)(C)C)Cc2ccc3c(c21)CCCC3
InChIInChI=1S/C20H32O2Si/c1-7-21-20(22-23(5,6)19(2,3)4)14-16-13-12-15-10-8-9-11-17(15)18(16)20/h12-13H,7-11,14H2,1-6H3
InChIKeySGDXEURMBOPMFT-UHFFFAOYSA-N
MW332.56 g/mol
LogP5.33
Rot. Bonds4

About tert-butyl-[(1-ethoxy-5,6,7,8-tetrahydro-2H-cyclobuta[a]naphthalen-1-yl)oxy]-dimethylsilane

tert-butyl-[(1-ethoxy-5,6,7,8-tetrahydro-2H-cyclobuta[a]naphthalen-1-yl)oxy]-dimethylsilane (PubChem CID 101263630) has the molecular formula C20H32O2Si and a molecular weight of 332.56 g/mol. Its IUPAC name is tert-butyl-[(1-ethoxy-5,6,7,8-tetrahydro-2H-cyclobuta[a]naphthalen-1-yl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1-ethoxy-5,6,7,8-tetrahydro-2H-cyclobuta[a]naphthalen-1-yl)oxy]-dimethylsilane
PubChem CID101263630
Molecular FormulaC20H32O2Si
Molecular Weight332.56 g/mol
Exact Mass332.22
IUPAC Nametert-butyl-[(1-ethoxy-5,6,7,8-tetrahydro-2H-cyclobuta[a]naphthalen-1-yl)oxy]-dimethylsilane
SMILESCCOC1(O[Si](C)(C)C(C)(C)C)Cc2ccc3c(c21)CCCC3
InChIInChI=1S/C20H32O2Si/c1-7-21-20(22-23(5,6)19(2,3)4)14-16-13-12-15-10-8-9-11-17(15)18(16)20/h12-13H,7-11,14H2,1-6H3
InChIKeySGDXEURMBOPMFT-UHFFFAOYSA-N
XLogP5.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.56
LogP ≤ 55.33
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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Related Compounds

Tert-butyl-[(3-ethoxy-3-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-trienyl)oxy]-dimethylsilane
CID 101263628
(2-(1-Methoxycyclohexyl)-5-(trifluoromethyl)benzyloxy)(tert-butyl)dimethylsilane
CID 58968732
Tert-butyl-[[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane
CID 67091408
Silane, diethyldecyloxy(2-naphthylmethoxy)-
CID 91717632
Silane, diethyl(2-naphthylmethoxy)undecyloxy-
CID 91717637
Silane, diethyldodecyloxy(2-naphthylmethoxy)-
CID 91717639
Silane, diethyl(2-naphthylmethoxy)tridecyloxy-
CID 91717642
Silane, diethyl(2-naphthylmethoxy)pentadecyloxy-
CID 91717644
Silane, diethylhexadecyloxy(2-naphthylmethoxy)-
CID 91717645
[Methoxy(naphthalen-2-yl)methyl]-trimethylsilane
CID 12777038
triethyl-[3-methoxy-3-[(1R)-1-naphthalen-2-ylethoxy]prop-1-en-2-yl]oxysilane
CID 101017961
Tert-butyl-[(1-ethoxy-2,5,6,7-tetrahydrocyclobuta[e]inden-1-yl)oxy]-dimethylsilane
CID 101263629

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1-ethoxy-5,6,7,8-tetrahydro-2H-cyclobuta[a]naphthalen-1-yl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1-ethoxy-5,6,7,8-tetrahydro-2H-cyclobuta[a]naphthalen-1-yl)oxy]-dimethylsilane (CID 101263630) is tert-butyl-[(1-ethoxy-5,6,7,8-tetrahydro-2H-cyclobuta[a]naphthalen-1-yl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1-ethoxy-5,6,7,8-tetrahydro-2H-cyclobuta[a]naphthalen-1-yl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1-ethoxy-5,6,7,8-tetrahydro-2H-cyclobuta[a]naphthalen-1-yl)oxy]-dimethylsilane is CCOC1(O[Si](C)(C)C(C)(C)C)Cc2ccc3c(c21)CCCC3.
What is the InChIKey of tert-butyl-[(1-ethoxy-5,6,7,8-tetrahydro-2H-cyclobuta[a]naphthalen-1-yl)oxy]-dimethylsilane?
The InChIKey is SGDXEURMBOPMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2Si/c1-7-21-20(22-23(5,6)19(2,3)4)14-16-13-12-15-10-8-9-11-17(15)18(16)20/h12-13H,7-11,14H2,1-6H3.
What are the key properties of tert-butyl-[(1-ethoxy-5,6,7,8-tetrahydro-2H-cyclobuta[a]naphthalen-1-yl)oxy]-dimethylsilane?
tert-butyl-[(1-ethoxy-5,6,7,8-tetrahydro-2H-cyclobuta[a]naphthalen-1-yl)oxy]-dimethylsilane has a molecular weight of 332.56 g/mol, XLogP of 5.33, 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-5,6,7,8-tetrahydro-2H-cyclobuta[a]naphthalen-1-yl)oxy]-dimethylsilane is sourced from PubChem (CID 101263630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).