tert-butyl-[[7-[4-(methoxymethoxy)but-1-en-2-yl]-5-methyl-8-oxatricyclo[3.3.1.02,7]nonan-1-yl]oxy]-dimethylsilane

C21H38O4Si — CID 117070200

IUPACtert-butyl-[[7-[4-(methoxymethoxy)but-1-en-2-yl]-5-methyl-8-oxatricyclo[3.3.1.02,7]nonan-1-yl]oxy]-dimethylsilane
SMILESC=C(CCOCOC)C12CC3(C)CCC1C(O[Si](C)(C)C(C)(C)C)(C3)O2
InChIInChI=1S/C21H38O4Si/c1-16(10-12-23-15-22-6)20-13-19(5)11-9-17(20)21(14-19,24-20)25-26(7,8)18(2,3)4/h17H,1,9-15H2,2-8H3
InChIKeyLYANQQLENKCWHP-UHFFFAOYSA-N
MW382.62 g/mol
LogP5.25
Rot. Bonds8

About tert-butyl-[[7-[4-(methoxymethoxy)but-1-en-2-yl]-5-methyl-8-oxatricyclo[3.3.1.02,7]nonan-1-yl]oxy]-dimethylsilane

tert-butyl-[[7-[4-(methoxymethoxy)but-1-en-2-yl]-5-methyl-8-oxatricyclo[3.3.1.02,7]nonan-1-yl]oxy]-dimethylsilane (PubChem CID 117070200) has the molecular formula C21H38O4Si and a molecular weight of 382.62 g/mol. Its IUPAC name is tert-butyl-[[7-[4-(methoxymethoxy)but-1-en-2-yl]-5-methyl-8-oxatricyclo[3.3.1.02,7]nonan-1-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[7-[4-(methoxymethoxy)but-1-en-2-yl]-5-methyl-8-oxatricyclo[3.3.1.02,7]nonan-1-yl]oxy]-dimethylsilane
PubChem CID117070200
Molecular FormulaC21H38O4Si
Molecular Weight382.62 g/mol
Exact Mass382.25
IUPAC Nametert-butyl-[[7-[4-(methoxymethoxy)but-1-en-2-yl]-5-methyl-8-oxatricyclo[3.3.1.02,7]nonan-1-yl]oxy]-dimethylsilane
SMILESC=C(CCOCOC)C12CC3(C)CCC1C(O[Si](C)(C)C(C)(C)C)(C3)O2
InChIInChI=1S/C21H38O4Si/c1-16(10-12-23-15-22-6)20-13-19(5)11-9-17(20)21(14-19,24-20)25-26(7,8)18(2,3)4/h17H,1,9-15H2,2-8H3
InChIKeyLYANQQLENKCWHP-UHFFFAOYSA-N
XLogP5.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.62
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 102245911
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CID 102482533
tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane
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tert-butyl-[[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]oxy]-dimethylsilane
CID 175958515
[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol
CID 74036562
trans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate
CID 10989748
2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolane-2-carbonitrile
CID 175184883
tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]oxy-dimethylsilane
CID 141193020
tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane
CID 22447738
methyl (1S,2S,4S,6R,7S,8R,11S,12S,14R)-14-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6,8,12-trimethyl-5-oxapentacyclo[9.5.0.02,8.04,6.012,14]hexadecane-1-carboxylate
CID 62705783
tert-butyl-dimethyl-[[(3R,5S,8R,9R,10R)-5,9,10-tris(methoxymethoxy)-8,15,15-trimethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-13-enyl]oxy]silane
CID 117070434
(1S,3S,4S,5S,8R,9S,11R)-4,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(methoxymethoxy)-8,15,15-trimethyltricyclo[9.3.1.03,8]pentadec-13-ene-4,9-diol
CID 14945839

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[7-[4-(methoxymethoxy)but-1-en-2-yl]-5-methyl-8-oxatricyclo[3.3.1.02,7]nonan-1-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[7-[4-(methoxymethoxy)but-1-en-2-yl]-5-methyl-8-oxatricyclo[3.3.1.02,7]nonan-1-yl]oxy]-dimethylsilane (CID 117070200) is tert-butyl-[[7-[4-(methoxymethoxy)but-1-en-2-yl]-5-methyl-8-oxatricyclo[3.3.1.02,7]nonan-1-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[7-[4-(methoxymethoxy)but-1-en-2-yl]-5-methyl-8-oxatricyclo[3.3.1.02,7]nonan-1-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[7-[4-(methoxymethoxy)but-1-en-2-yl]-5-methyl-8-oxatricyclo[3.3.1.02,7]nonan-1-yl]oxy]-dimethylsilane is C=C(CCOCOC)C12CC3(C)CCC1C(O[Si](C)(C)C(C)(C)C)(C3)O2.
What is the InChIKey of tert-butyl-[[7-[4-(methoxymethoxy)but-1-en-2-yl]-5-methyl-8-oxatricyclo[3.3.1.02,7]nonan-1-yl]oxy]-dimethylsilane?
The InChIKey is LYANQQLENKCWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O4Si/c1-16(10-12-23-15-22-6)20-13-19(5)11-9-17(20)21(14-19,24-20)25-26(7,8)18(2,3)4/h17H,1,9-15H2,2-8H3.
What are the key properties of tert-butyl-[[7-[4-(methoxymethoxy)but-1-en-2-yl]-5-methyl-8-oxatricyclo[3.3.1.02,7]nonan-1-yl]oxy]-dimethylsilane?
tert-butyl-[[7-[4-(methoxymethoxy)but-1-en-2-yl]-5-methyl-8-oxatricyclo[3.3.1.02,7]nonan-1-yl]oxy]-dimethylsilane has a molecular weight of 382.62 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[7-[4-(methoxymethoxy)but-1-en-2-yl]-5-methyl-8-oxatricyclo[3.3.1.02,7]nonan-1-yl]oxy]-dimethylsilane is sourced from PubChem (CID 117070200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).