methyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate

C14H24O6Si — CID 10495645

IUPACmethyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate
SMILESCOC(=O)[C@H]1OC2(CCCC2)O/C1=C(\OC)O[Si](C)(C)C
InChIInChI=1S/C14H24O6Si/c1-16-12(15)10-11(13(17-2)20-21(3,4)5)19-14(18-10)8-6-7-9-14/h10H,6-9H2,1-5H3/b13-11+/t10-/m0/s1
InChIKeyQTTRJMULTWSJNE-GYXQTMOZSA-N
MW316.43 g/mol
LogP2.51
Rot. Bonds4

About methyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate

methyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate (PubChem CID 10495645) has the molecular formula C14H24O6Si and a molecular weight of 316.43 g/mol. Its IUPAC name is methyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate
PubChem CID10495645
Molecular FormulaC14H24O6Si
Molecular Weight316.43 g/mol
Exact Mass316.13
IUPAC Namemethyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate
SMILESCOC(=O)[C@H]1OC2(CCCC2)O/C1=C(\OC)O[Si](C)(C)C
InChIInChI=1S/C14H24O6Si/c1-16-12(15)10-11(13(17-2)20-21(3,4)5)19-14(18-10)8-6-7-9-14/h10H,6-9H2,1-5H3/b13-11+/t10-/m0/s1
InChIKeyQTTRJMULTWSJNE-GYXQTMOZSA-N
XLogP2.51
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.51
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'}

Analyze methyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate with MolForge

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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
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

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of methyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate (CID 10495645) is methyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for methyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for methyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate is COC(=O)[C@H]1OC2(CCCC2)O/C1=C(\OC)O[Si](C)(C)C.
What is the InChIKey of methyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate?
The InChIKey is QTTRJMULTWSJNE-GYXQTMOZSA-N. The full InChI is InChI=1S/C14H24O6Si/c1-16-12(15)10-11(13(17-2)20-21(3,4)5)19-14(18-10)8-6-7-9-14/h10H,6-9H2,1-5H3/b13-11+/t10-/m0/s1.
What are the key properties of methyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate?
methyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate has a molecular weight of 316.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 10495645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).