tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane

C17H28O3Si — CID 139809790

IUPACtert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane
SMILESCOc1cc2c(cc1OC)CC(O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C17H28O3Si/c1-17(2,3)21(6,7)20-14-8-12-10-15(18-4)16(19-5)11-13(12)9-14/h10-11,14H,8-9H2,1-7H3
InChIKeyCJIGXGSBRFSTEZ-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.19
Rot. Bonds4

About tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane

tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane (PubChem CID 139809790) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane
PubChem CID139809790
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Nametert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane
SMILESCOc1cc2c(cc1OC)CC(O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C17H28O3Si/c1-17(2,3)21(6,7)20-14-8-12-10-15(18-4)16(19-5)11-13(12)9-14/h10-11,14H,8-9H2,1-7H3
InChIKeyCJIGXGSBRFSTEZ-UHFFFAOYSA-N
XLogP4.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 23377895
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CID 58658829
[(1S)-3-bromocyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 10880391
tert-butyl-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane
CID 67470686
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
5,6-dimethoxy-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
CID 12009520
[(2S,4S,9aR)-4-(3,4-dimethoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizin-2-yl]oxy-tert-butyl-dimethylsilane
CID 12000560
tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(5-fluoro-2-methoxyphenyl)-2-hydroxypyrrolidine-1-carboxylate
CID 139270410
5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene]
CID 139038251
methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate
CID 140704130
(2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one
CID 11288440
2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol
CID 91351907

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane (CID 139809790) is tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane is COc1cc2c(cc1OC)CC(O[Si](C)(C)C(C)(C)C)C2.
What is the InChIKey of tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane?
The InChIKey is CJIGXGSBRFSTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-17(2,3)21(6,7)20-14-8-12-10-15(18-4)16(19-5)11-13(12)9-14/h10-11,14H,8-9H2,1-7H3.
What are the key properties of tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane?
tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane has a molecular weight of 308.49 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane is sourced from PubChem (CID 139809790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).