tert-butyl-[[(1R,2R)-4,8-dimethoxy-2,3-dimethyl-1,2-dihydronaphthalen-1-yl]oxy]-dimethylsilane

C20H32O3Si — CID 15532503

IUPACtert-butyl-[[(1R,2R)-4,8-dimethoxy-2,3-dimethyl-1,2-dihydronaphthalen-1-yl]oxy]-dimethylsilane
SMILESCOC1=C(C)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c2c(OC)cccc21
InChIInChI=1S/C20H32O3Si/c1-13-14(2)19(23-24(8,9)20(3,4)5)17-15(18(13)22-7)11-10-12-16(17)21-6/h10-12,14,19H,1-9H3/t14-,19-/m1/s1
InChIKeyLGXOQMGNIJNVGA-AUUYWEPGSA-N
MW348.56 g/mol
LogP5.79
Rot. Bonds4

About tert-butyl-[[(1R,2R)-4,8-dimethoxy-2,3-dimethyl-1,2-dihydronaphthalen-1-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,2R)-4,8-dimethoxy-2,3-dimethyl-1,2-dihydronaphthalen-1-yl]oxy]-dimethylsilane (PubChem CID 15532503) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is tert-butyl-[[(1R,2R)-4,8-dimethoxy-2,3-dimethyl-1,2-dihydronaphthalen-1-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2R)-4,8-dimethoxy-2,3-dimethyl-1,2-dihydronaphthalen-1-yl]oxy]-dimethylsilane
PubChem CID15532503
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Nametert-butyl-[[(1R,2R)-4,8-dimethoxy-2,3-dimethyl-1,2-dihydronaphthalen-1-yl]oxy]-dimethylsilane
SMILESCOC1=C(C)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c2c(OC)cccc21
InChIInChI=1S/C20H32O3Si/c1-13-14(2)19(23-24(8,9)20(3,4)5)17-15(18(13)22-7)11-10-12-16(17)21-6/h10-12,14,19H,1-9H3/t14-,19-/m1/s1
InChIKeyLGXOQMGNIJNVGA-AUUYWEPGSA-N
XLogP5.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[(1R,2R)-4,8-dimethoxy-2,3-dimethyl-1,2-dihydronaphthalen-1-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,2R)-4,8-dimethoxy-2,3-dimethyl-1,2-dihydronaphthalen-1-yl]oxy]-dimethylsilane (CID 15532503) is tert-butyl-[[(1R,2R)-4,8-dimethoxy-2,3-dimethyl-1,2-dihydronaphthalen-1-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2R)-4,8-dimethoxy-2,3-dimethyl-1,2-dihydronaphthalen-1-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,2R)-4,8-dimethoxy-2,3-dimethyl-1,2-dihydronaphthalen-1-yl]oxy]-dimethylsilane is COC1=C(C)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c2c(OC)cccc21.
What is the InChIKey of tert-butyl-[[(1R,2R)-4,8-dimethoxy-2,3-dimethyl-1,2-dihydronaphthalen-1-yl]oxy]-dimethylsilane?
The InChIKey is LGXOQMGNIJNVGA-AUUYWEPGSA-N. The full InChI is InChI=1S/C20H32O3Si/c1-13-14(2)19(23-24(8,9)20(3,4)5)17-15(18(13)22-7)11-10-12-16(17)21-6/h10-12,14,19H,1-9H3/t14-,19-/m1/s1.
What are the key properties of tert-butyl-[[(1R,2R)-4,8-dimethoxy-2,3-dimethyl-1,2-dihydronaphthalen-1-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,2R)-4,8-dimethoxy-2,3-dimethyl-1,2-dihydronaphthalen-1-yl]oxy]-dimethylsilane has a molecular weight of 348.56 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2R)-4,8-dimethoxy-2,3-dimethyl-1,2-dihydronaphthalen-1-yl]oxy]-dimethylsilane is sourced from PubChem (CID 15532503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).