methyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate

C15H30O4Si — CID 10566311

IUPACmethyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate
SMILESCOC(=O)CC[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-15(2,3)20(5,6)19-13-8-7-11-18-12(13)9-10-14(16)17-4/h12-13H,7-11H2,1-6H3/t12-,13+/m1/s1
InChIKeyUCUOLLSLKDHMHO-OLZOCXBDSA-N
MW302.49 g/mol
LogP3.51
Rot. Bonds5

About methyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate

methyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate (PubChem CID 10566311) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is methyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate
PubChem CID10566311
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Namemethyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate
SMILESCOC(=O)CC[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-15(2,3)20(5,6)19-13-8-7-11-18-12(13)9-10-14(16)17-4/h12-13H,7-11H2,1-6H3/t12-,13+/m1/s1
InChIKeyUCUOLLSLKDHMHO-OLZOCXBDSA-N
XLogP3.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate with MolForge

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Related Compounds

(5S)-5-[(2R,5R,6S)-5-ethyl-6-methyl-5-triethylsilyloxyoxan-2-yl]-5-methyloxolan-2-one
CID 11013732
(5S)-5-[[tert-butyl(dimethyl)silyl]oxy-[(2S)-5-oxooxolan-2-yl]methyl]oxolan-2-one
CID 14658518
methyl (3R)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylbutanoate
CID 101383532
methyl (3S)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylbutanoate
CID 101383533
methyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate
CID 101383534
3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid
CID 134882512
methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate
CID 135001185
3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal
CID 135044553
(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyoxan-2-one
CID 145945199
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate
CID 166449043
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one
CID 10597039
3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid
CID 22859773

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate?
The IUPAC name of methyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate (CID 10566311) is methyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate.
What is the SMILES notation for methyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate?
The canonical SMILES for methyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate is COC(=O)CC[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate?
The InChIKey is UCUOLLSLKDHMHO-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-15(2,3)20(5,6)19-13-8-7-11-18-12(13)9-10-14(16)17-4/h12-13H,7-11H2,1-6H3/t12-,13+/m1/s1.
What are the key properties of methyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate?
methyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate has a molecular weight of 302.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate is sourced from PubChem (CID 10566311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).