methyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate

C12H22O6Si — CID 10493728

IUPACmethyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCOC(=O)[C@H]1OC(C)(C)O/C1=C(\OC)O[Si](C)(C)C
InChIInChI=1S/C12H22O6Si/c1-12(2)16-8(10(13)14-3)9(17-12)11(15-4)18-19(5,6)7/h8H,1-7H3/b11-9+/t8-/m0/s1
InChIKeyPITUUBJIDQFSFY-QMIUEANQSA-N
MW290.39 g/mol
LogP1.98
Rot. Bonds4

About methyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate

methyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate (PubChem CID 10493728) has the molecular formula C12H22O6Si and a molecular weight of 290.39 g/mol. Its IUPAC name is methyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
PubChem CID10493728
Molecular FormulaC12H22O6Si
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Namemethyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCOC(=O)[C@H]1OC(C)(C)O/C1=C(\OC)O[Si](C)(C)C
InChIInChI=1S/C12H22O6Si/c1-12(2)16-8(10(13)14-3)9(17-12)11(15-4)18-19(5,6)7/h8H,1-7H3/b11-9+/t8-/m0/s1
InChIKeyPITUUBJIDQFSFY-QMIUEANQSA-N
XLogP1.98
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.98
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
ethyl (4S)-2,2-dimethyl-5-(oxomethylidene)-1,3-dioxolane-4-carboxylate
CID 135038220
lithium (E)-methoxy-[(5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-ylidene]methanolate
CID 155932139
(6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one
CID 67979540
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 (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
methyl (4R,5E)-5-[hydroxy(methoxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 155932140

Frequently Asked Questions

What is the IUPAC name of methyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate (CID 10493728) is methyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate is COC(=O)[C@H]1OC(C)(C)O/C1=C(\OC)O[Si](C)(C)C.
What is the InChIKey of methyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is PITUUBJIDQFSFY-QMIUEANQSA-N. The full InChI is InChI=1S/C12H22O6Si/c1-12(2)16-8(10(13)14-3)9(17-12)11(15-4)18-19(5,6)7/h8H,1-7H3/b11-9+/t8-/m0/s1.
What are the key properties of methyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
methyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 290.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 10493728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).