tert-butyl-[[3-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane

C21H34O4Si — CID 11079394

IUPACtert-butyl-[[3-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane
SMILESCOc1ccc(C2COC3(CCC(O[Si](C)(C)C(C)(C)C)CC3)O2)cc1
InChIInChI=1S/C21H34O4Si/c1-20(2,3)26(5,6)25-18-11-13-21(14-12-18)23-15-19(24-21)16-7-9-17(22-4)10-8-16/h7-10,18-19H,11-15H2,1-6H3
InChIKeyLFINVAIGVVPOPJ-UHFFFAOYSA-N
MW378.59 g/mol
LogP5.44
Rot. Bonds4

About tert-butyl-[[3-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane

tert-butyl-[[3-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane (PubChem CID 11079394) has the molecular formula C21H34O4Si and a molecular weight of 378.59 g/mol. Its IUPAC name is tert-butyl-[[3-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane
PubChem CID11079394
Molecular FormulaC21H34O4Si
Molecular Weight378.59 g/mol
Exact Mass378.22
IUPAC Nametert-butyl-[[3-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane
SMILESCOc1ccc(C2COC3(CCC(O[Si](C)(C)C(C)(C)C)CC3)O2)cc1
InChIInChI=1S/C21H34O4Si/c1-20(2,3)26(5,6)25-18-11-13-21(14-12-18)23-15-19(24-21)16-7-9-17(22-4)10-8-16/h7-10,18-19H,11-15H2,1-6H3
InChIKeyLFINVAIGVVPOPJ-UHFFFAOYSA-N
XLogP5.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.59
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 11085508
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CID 156620124
3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
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1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
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tert-butyl-cycloundec-4-en-1-yloxy-dimethylsilane
CID 68818664
3-(4-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 82024492
tert-butyl-(4-tert-butylcyclohexyl)oxy-dimethylsilane
CID 11021977
tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
CID 10638575
tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane
CID 139809790
4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
CID 175981383
tert-butyl-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-2-[2-[(8S)-8-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethyl]cyclohexyl]oxy-dimethylsilane
CID 11180140

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane (CID 11079394) is tert-butyl-[[3-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane is COc1ccc(C2COC3(CCC(O[Si](C)(C)C(C)(C)C)CC3)O2)cc1.
What is the InChIKey of tert-butyl-[[3-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane?
The InChIKey is LFINVAIGVVPOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O4Si/c1-20(2,3)26(5,6)25-18-11-13-21(14-12-18)23-15-19(24-21)16-7-9-17(22-4)10-8-16/h7-10,18-19H,11-15H2,1-6H3.
What are the key properties of tert-butyl-[[3-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane?
tert-butyl-[[3-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane has a molecular weight of 378.59 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11079394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).