methane;methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate

C15H34O6Si — CID 157402832

IUPACmethane;methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate
SMILESC.COC(=O)[C@@H](C)O.COC(=O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O3Si.C4H8O3.CH4/c1-8(9(11)12-5)13-14(6,7)10(2,3)4;1-3(5)4(6)7-2;/h8H,1-7H3;3,5H,1-2H3;1H4/t8-;3-;/m11./s1
InChIKeyBNJIYDVIZTZNRK-CDUVYSFBSA-N
MW338.52 g/mol
LogP2.75
Rot. Bonds4

About methane;methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate

methane;methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate (PubChem CID 157402832) has the molecular formula C15H34O6Si and a molecular weight of 338.52 g/mol. Its IUPAC name is methane;methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethane;methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate
PubChem CID157402832
Molecular FormulaC15H34O6Si
Molecular Weight338.52 g/mol
Exact Mass338.21
IUPAC Namemethane;methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate
SMILESC.COC(=O)[C@@H](C)O.COC(=O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O3Si.C4H8O3.CH4/c1-8(9(11)12-5)13-14(6,7)10(2,3)4;1-3(5)4(6)7-2;/h8H,1-7H3;3,5H,1-2H3;1H4/t8-;3-;/m11./s1
InChIKeyBNJIYDVIZTZNRK-CDUVYSFBSA-N
XLogP2.75
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 methane;methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate?
The IUPAC name of methane;methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate (CID 157402832) is methane;methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate.
What is the SMILES notation for methane;methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate?
The canonical SMILES for methane;methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate is C.COC(=O)[C@@H](C)O.COC(=O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methane;methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate?
The InChIKey is BNJIYDVIZTZNRK-CDUVYSFBSA-N. The full InChI is InChI=1S/C10H22O3Si.C4H8O3.CH4/c1-8(9(11)12-5)13-14(6,7)10(2,3)4;1-3(5)4(6)7-2;/h8H,1-7H3;3,5H,1-2H3;1H4/t8-;3-;/m11./s1.
What are the key properties of methane;methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate?
methane;methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate has a molecular weight of 338.52 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate is sourced from PubChem (CID 157402832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).