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

C14H30O6Si — CID 157352463

IUPACmethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2S)-2-hydroxypropanoate
SMILESCOC(=O)[C@H](C)O.COC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O3Si.C4H8O3/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/t8-;3-/m00/s1
InChIKeyBHRRXBVRVPDQHU-YYTBSQRUSA-N
MW322.47 g/mol
LogP2.11
Rot. Bonds4

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

methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2S)-2-hydroxypropanoate (PubChem CID 157352463) has the molecular formula C14H30O6Si and a molecular weight of 322.47 g/mol. Its IUPAC name is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2S)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2S)-2-hydroxypropanoate
PubChem CID157352463
Molecular FormulaC14H30O6Si
Molecular Weight322.47 g/mol
Exact Mass322.18
IUPAC Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2S)-2-hydroxypropanoate
SMILESCOC(=O)[C@H](C)O.COC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O3Si.C4H8O3/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/t8-;3-/m00/s1
InChIKeyBHRRXBVRVPDQHU-YYTBSQRUSA-N
XLogP2.11
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.11
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 methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2S)-2-hydroxypropanoate?
The IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2S)-2-hydroxypropanoate (CID 157352463) is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2S)-2-hydroxypropanoate.
What is the SMILES notation for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2S)-2-hydroxypropanoate?
The canonical SMILES for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2S)-2-hydroxypropanoate is COC(=O)[C@H](C)O.COC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2S)-2-hydroxypropanoate?
The InChIKey is BHRRXBVRVPDQHU-YYTBSQRUSA-N. The full InChI is InChI=1S/C10H22O3Si.C4H8O3/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/t8-;3-/m00/s1.
What are the key properties of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2S)-2-hydroxypropanoate?
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2S)-2-hydroxypropanoate has a molecular weight of 322.47 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2S)-2-hydroxypropanoate is sourced from PubChem (CID 157352463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).