[(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane

C18H32O2Si — CID 101130873

IUPAC[(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane
SMILESC=C1CC2(COC(C)(C)OC2)C/C1=C\[Si](CC)(CC)CC
InChIInChI=1S/C18H32O2Si/c1-7-21(8-2,9-3)12-16-11-18(10-15(16)4)13-19-17(5,6)20-14-18/h12H,4,7-11,13-14H2,1-3,5-6H3/b16-12+
InChIKeyXWZUIRMNASAIEK-FOWTUZBSSA-N
MW308.54 g/mol
LogP5.08
Rot. Bonds4

About [(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane

[(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane (PubChem CID 101130873) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is [(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane.

Molecular Properties

Compound Name[(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane
PubChem CID101130873
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name[(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane
SMILESC=C1CC2(COC(C)(C)OC2)C/C1=C\[Si](CC)(CC)CC
InChIInChI=1S/C18H32O2Si/c1-7-21(8-2,9-3)12-16-11-18(10-15(16)4)13-19-17(5,6)20-14-18/h12H,4,7-11,13-14H2,1-3,5-6H3/b16-12+
InChIKeyXWZUIRMNASAIEK-FOWTUZBSSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane
CID 10648511
[(Z)-iodo-[(3Z)-3-[iodo(trimethylsilyl)methylidene]-8,8-dimethyl-7,9-dioxaspiro[4.5]decan-2-ylidene]methyl]-trimethylsilane
CID 10973978
[(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane
CID 164687056
[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane
CID 11381295
[(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-trimethylsilane
CID 10355588
trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane
CID 10497259
triethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane
CID 11771704
[(Z)-iodo-[(2E)-2-[iodo(trimethylsilyl)methylidene]-8,8-dimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane
CID 177572203

Frequently Asked Questions

What is the IUPAC name of [(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane?
The IUPAC name of [(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane (CID 101130873) is [(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane.
What is the SMILES notation for [(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane?
The canonical SMILES for [(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane is C=C1CC2(COC(C)(C)OC2)C/C1=C\[Si](CC)(CC)CC.
What is the InChIKey of [(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane?
The InChIKey is XWZUIRMNASAIEK-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-7-21(8-2,9-3)12-16-11-18(10-15(16)4)13-19-17(5,6)20-14-18/h12H,4,7-11,13-14H2,1-3,5-6H3/b16-12+.
What are the key properties of [(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane?
[(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane has a molecular weight of 308.54 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane is sourced from PubChem (CID 101130873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).