methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate

C15H30O5Si — CID 11012598

IUPACmethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
SMILESCOC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C15H30O5Si/c1-14(2,3)21(7,8)20-11(9-13(16)17-6)12-10-18-15(4,5)19-12/h11-12H,9-10H2,1-8H3/t11-,12+/m1/s1
InChIKeyKHYQVXJHAUIZLK-NEPJUHHUSA-N
MW318.49 g/mol
LogP3.09
Rot. Bonds5

About methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate

methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate (PubChem CID 11012598) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
PubChem CID11012598
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
SMILESCOC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C15H30O5Si/c1-14(2,3)21(7,8)20-11(9-13(16)17-6)12-10-18-15(4,5)19-12/h11-12H,9-10H2,1-8H3/t11-,12+/m1/s1
InChIKeyKHYQVXJHAUIZLK-NEPJUHHUSA-N
XLogP3.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate?
The IUPAC name of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate (CID 11012598) is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate.
What is the SMILES notation for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate?
The canonical SMILES for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate is COC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1COC(C)(C)O1.
What is the InChIKey of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate?
The InChIKey is KHYQVXJHAUIZLK-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-14(2,3)21(7,8)20-11(9-13(16)17-6)12-10-18-15(4,5)19-12/h11-12H,9-10H2,1-8H3/t11-,12+/m1/s1.
What are the key properties of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate?
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate has a molecular weight of 318.49 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate is sourced from PubChem (CID 11012598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).