tert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate

C20H36O6Si — CID 11729085

IUPACtert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1OC2(CCCC2)O/C1=C(/OC(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H36O6Si/c1-18(2,3)24-16(21)14-15(23-20(22-14)12-10-11-13-20)17(25-19(4,5)6)26-27(7,8)9/h14H,10-13H2,1-9H3/b17-15-/t14-/m1/s1
InChIKeyGJUGHFQLGAFBSH-XEVXXXDWSA-N
MW400.59 g/mol
LogP4.85
Rot. Bonds4

About tert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate

tert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate (PubChem CID 11729085) has the molecular formula C20H36O6Si and a molecular weight of 400.59 g/mol. Its IUPAC name is tert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate
PubChem CID11729085
Molecular FormulaC20H36O6Si
Molecular Weight400.59 g/mol
Exact Mass400.23
IUPAC Nametert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1OC2(CCCC2)O/C1=C(/OC(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H36O6Si/c1-18(2,3)24-16(21)14-15(23-20(22-14)12-10-11-13-20)17(25-19(4,5)6)26-27(7,8)9/h14H,10-13H2,1-9H3/b17-15-/t14-/m1/s1
InChIKeyGJUGHFQLGAFBSH-XEVXXXDWSA-N
XLogP4.85
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate
CID 10905466
methyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10493728
methyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate
CID 10495645
propan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate
CID 10641341
tert-butyl (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate
CID 10667153
tert-butyl (2S,3E)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate
CID 11047666
tert-butyl (4S,5Z)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate
CID 100957769

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of tert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate (CID 11729085) is tert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for tert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate is CC(C)(C)OC(=O)[C@@H]1OC2(CCCC2)O/C1=C(/OC(C)(C)C)O[Si](C)(C)C.
What is the InChIKey of tert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate?
The InChIKey is GJUGHFQLGAFBSH-XEVXXXDWSA-N. The full InChI is InChI=1S/C20H36O6Si/c1-18(2,3)24-16(21)14-15(23-20(22-14)12-10-11-13-20)17(25-19(4,5)6)26-27(7,8)9/h14H,10-13H2,1-9H3/b17-15-/t14-/m1/s1.
What are the key properties of tert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate?
tert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate has a molecular weight of 400.59 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 11729085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).