tert-butyl (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate

C18H34O6Si — CID 10667153

IUPACtert-butyl (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1OC(C)(C)O/C1=C(\OC(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H34O6Si/c1-16(2,3)22-14(19)12-13(21-18(7,8)20-12)15(23-17(4,5)6)24-25(9,10)11/h12H,1-11H3/b15-13+/t12-/m0/s1
InChIKeyFZEZKFUOSXKRIZ-PRSJPOKTSA-N
MW374.55 g/mol
LogP4.32
Rot. Bonds4

About tert-butyl (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate

tert-butyl (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate (PubChem CID 10667153) has the molecular formula C18H34O6Si and a molecular weight of 374.55 g/mol. Its IUPAC name is tert-butyl (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate
PubChem CID10667153
Molecular FormulaC18H34O6Si
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Nametert-butyl (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1OC(C)(C)O/C1=C(\OC(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H34O6Si/c1-16(2,3)22-14(19)12-13(21-18(7,8)20-12)15(23-17(4,5)6)24-25(9,10)11/h12H,1-11H3/b15-13+/t12-/m0/s1
InChIKeyFZEZKFUOSXKRIZ-PRSJPOKTSA-N
XLogP4.32
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 54.32
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
(6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one
CID 67979540
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 (2S,3E)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate
CID 11047666
tert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate
CID 11729085
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 (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate?
The IUPAC name of tert-butyl (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate (CID 10667153) is tert-butyl (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for tert-butyl (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate?
The canonical SMILES for tert-butyl (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate is CC(C)(C)OC(=O)[C@H]1OC(C)(C)O/C1=C(\OC(C)(C)C)O[Si](C)(C)C.
What is the InChIKey of tert-butyl (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate?
The InChIKey is FZEZKFUOSXKRIZ-PRSJPOKTSA-N. The full InChI is InChI=1S/C18H34O6Si/c1-16(2,3)22-14(19)12-13(21-18(7,8)20-12)15(23-17(4,5)6)24-25(9,10)11/h12H,1-11H3/b15-13+/t12-/m0/s1.
What are the key properties of tert-butyl (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate?
tert-butyl (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate has a molecular weight of 374.55 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 10667153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).