methyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate

C15H30O5Si — CID 140959622

IUPACmethyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C15H30O5Si/c1-14(2,3)21(7,8)18-10-11-9-12(13(16)17-6)20-15(4,5)19-11/h11-12H,9-10H2,1-8H3/t11-,12+/m0/s1
InChIKeySFPPOCZOWNAQJK-NWDGAFQWSA-N
MW318.49 g/mol
LogP3.09
Rot. Bonds4

About methyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate

methyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate (PubChem CID 140959622) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is methyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate
PubChem CID140959622
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Namemethyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C15H30O5Si/c1-14(2,3)21(7,8)18-10-11-9-12(13(16)17-6)20-15(4,5)19-11/h11-12H,9-10H2,1-8H3/t11-,12+/m0/s1
InChIKeySFPPOCZOWNAQJK-NWDGAFQWSA-N
XLogP3.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate?
The IUPAC name of methyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate (CID 140959622) is methyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate.
What is the SMILES notation for methyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate?
The canonical SMILES for methyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate is COC(=O)[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)OC(C)(C)O1.
What is the InChIKey of methyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate?
The InChIKey is SFPPOCZOWNAQJK-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-14(2,3)21(7,8)18-10-11-9-12(13(16)17-6)20-15(4,5)19-11/h11-12H,9-10H2,1-8H3/t11-,12+/m0/s1.
What are the key properties of methyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate?
methyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate has a molecular weight of 318.49 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate is sourced from PubChem (CID 140959622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).