methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanoate

C12H26O5Si — CID 10912867

IUPACmethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanoate
SMILESCOCO[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C12H26O5Si/c1-12(2,3)18(6,7)17-8-10(11(13)15-5)16-9-14-4/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyVOIATFLUBUNEDC-JTQLQIEISA-N
MW278.42 g/mol
LogP2.17
Rot. Bonds7

About methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanoate

methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanoate (PubChem CID 10912867) has the molecular formula C12H26O5Si and a molecular weight of 278.42 g/mol. Its IUPAC name is methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanoate
PubChem CID10912867
Molecular FormulaC12H26O5Si
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Namemethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanoate
SMILESCOCO[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C12H26O5Si/c1-12(2,3)18(6,7)17-8-10(11(13)15-5)16-9-14-4/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyVOIATFLUBUNEDC-JTQLQIEISA-N
XLogP2.17
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(Methoxymethoxy)-3-oxopropyl (2-(trimethylsilyl)ethyl) carbonate
CID 44511293
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one
CID 135049504
2-(Trimethylsilyl)ethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 154731555
1-[Tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one
CID 11066269
Diethyl 2-[tert-butyl(dimethyl)silyl]oxypropanedioate
CID 57171865
(S)-methyl 2-(tert-butyldimethylsilyloxy)-3-ethoxypropanoate
CID 57438643
Methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate
CID 57453766
Methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate
CID 57453768
Methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropanoate
CID 57453769
methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-1-methoxypropan-2-yl]oxypropanoate
CID 57504628
methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-methoxypropan-2-yl]oxypropanoate
CID 57504634
(R)-methyl 2-(tert-butyldimethylsilyloxy)-3-methoxypropanoate
CID 59279515

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanoate?
The IUPAC name of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanoate (CID 10912867) is methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanoate.
What is the SMILES notation for methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanoate?
The canonical SMILES for methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanoate is COCO[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanoate?
The InChIKey is VOIATFLUBUNEDC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26O5Si/c1-12(2,3)18(6,7)17-8-10(11(13)15-5)16-9-14-4/h10H,8-9H2,1-7H3/t10-/m0/s1.
What are the key properties of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanoate?
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanoate has a molecular weight of 278.42 g/mol, XLogP of 2.17, 7 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-(methoxymethoxy)propanoate is sourced from PubChem (CID 10912867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).