tert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane

C22H36O2Si — CID 123396288

IUPACtert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
SMILESCCC1OC(c2cccc3c2CCC3O[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C22H36O2Si/c1-9-19-22(5,6)20(23-19)17-12-10-11-16-15(17)13-14-18(16)24-25(7,8)21(2,3)4/h10-12,18-20H,9,13-14H2,1-8H3
InChIKeyXUEAGOHCMFSWCH-UHFFFAOYSA-N
MW360.61 g/mol
LogP6.57
Rot. Bonds4

About tert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane

tert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (PubChem CID 123396288) has the molecular formula C22H36O2Si and a molecular weight of 360.61 g/mol. Its IUPAC name is tert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
PubChem CID123396288
Molecular FormulaC22H36O2Si
Molecular Weight360.61 g/mol
Exact Mass360.25
IUPAC Nametert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
SMILESCCC1OC(c2cccc3c2CCC3O[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C22H36O2Si/c1-9-19-22(5,6)20(23-19)17-12-10-11-16-15(17)13-14-18(16)24-25(7,8)21(2,3)4/h10-12,18-20H,9,13-14H2,1-8H3
InChIKeyXUEAGOHCMFSWCH-UHFFFAOYSA-N
XLogP6.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.61
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane with MolForge

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Related Compounds

1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol
CID 77360299
tert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
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[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol
CID 67812161
[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-(2,3-dimethylbutan-2-yloxy)methanol
CID 175133450
1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one
CID 123160452
tert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 123807630
tert-butyl-dimethyl-[(4-methylidene-2,3-dihydro-1H-naphthalen-1-yl)oxy]silane
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tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane
CID 69220700
N-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine
CID 150629221
1-[tert-butyl(dimethyl)silyl]oxy-4-[(6-chloro-3-pyridinyl)methyl]-2,3-dihydro-1H-indene-5-carbonitrile
CID 123649519
5-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzonitrile
CID 67302125
[5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (CID 123396288) is tert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is CCC1OC(c2cccc3c2CCC3O[Si](C)(C)C(C)(C)C)C1(C)C.
What is the InChIKey of tert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The InChIKey is XUEAGOHCMFSWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2Si/c1-9-19-22(5,6)20(23-19)17-12-10-11-16-15(17)13-14-18(16)24-25(7,8)21(2,3)4/h10-12,18-20H,9,13-14H2,1-8H3.
What are the key properties of tert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
tert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane has a molecular weight of 360.61 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is sourced from PubChem (CID 123396288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).