methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-oxan-2-yl]oxypropanoate

C15H30O5Si — CID 99864542

IUPACmethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-oxan-2-yl]oxypropanoate
SMILESCOC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1CCCCO1
InChIInChI=1S/C15H30O5Si/c1-15(2,3)21(5,6)19-11-12(14(16)17-4)20-13-9-7-8-10-18-13/h12-13H,7-11H2,1-6H3/t12-,13-/m0/s1
InChIKeyRPLZTINCNFPQBI-STQMWFEESA-N
MW318.49 g/mol
LogP3.09
Rot. Bonds6

About methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-oxan-2-yl]oxypropanoate

methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-oxan-2-yl]oxypropanoate (PubChem CID 99864542) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-oxan-2-yl]oxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-oxan-2-yl]oxypropanoate
PubChem CID99864542
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Namemethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-oxan-2-yl]oxypropanoate
SMILESCOC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1CCCCO1
InChIInChI=1S/C15H30O5Si/c1-15(2,3)21(5,6)19-11-12(14(16)17-4)20-13-9-7-8-10-18-13/h12-13H,7-11H2,1-6H3/t12-,13-/m0/s1
InChIKeyRPLZTINCNFPQBI-STQMWFEESA-N
XLogP3.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
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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Related Compounds

(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 46838235
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one
CID 14134380
(2R,4S) 4 t-butyldimethylsiloxymethyl-2-methyl-1,3-dioxan-5-one
CID 14134382
Dimethyl 2-(oxan-2-yloxy)propanedioate
CID 19075801
Diethyl 2-(oxan-2-yloxy)propanedioate
CID 19075920
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal
CID 57243235
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-one
CID 58065771
2-[Butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)propanal
CID 88482469
methyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate
CID 140959622
Ethyl 2,2-diethoxy-3-(2-methylsilyloxan-2-yl)oxybutanoate
CID 173427232
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropanoate
CID 173764078
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxy)propanoate
CID 10663382

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-oxan-2-yl]oxypropanoate?
The IUPAC name of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-oxan-2-yl]oxypropanoate (CID 99864542) is methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-oxan-2-yl]oxypropanoate.
What is the SMILES notation for methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-oxan-2-yl]oxypropanoate?
The canonical SMILES for methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-oxan-2-yl]oxypropanoate is COC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1CCCCO1.
What is the InChIKey of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-oxan-2-yl]oxypropanoate?
The InChIKey is RPLZTINCNFPQBI-STQMWFEESA-N. The full InChI is InChI=1S/C15H30O5Si/c1-15(2,3)21(5,6)19-11-12(14(16)17-4)20-13-9-7-8-10-18-13/h12-13H,7-11H2,1-6H3/t12-,13-/m0/s1.
What are the key properties of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-oxan-2-yl]oxypropanoate?
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-oxan-2-yl]oxypropanoate has a molecular weight of 318.49 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-oxan-2-yl]oxypropanoate is sourced from PubChem (CID 99864542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).