methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate

C15H30O4Si — CID 87182773

IUPACmethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate
SMILESCOC(=O)C(C[C@@H](C=O)O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C15H30O4Si/c1-11(2)13(14(17)18-6)9-12(10-16)19-20(7,8)15(3,4)5/h10-13H,9H2,1-8H3/t12-,13?/m0/s1
InChIKeyGJCWMSMIVAUULE-UEWDXFNNSA-N
MW302.49 g/mol
LogP3.41
Rot. Bonds7

About methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate

methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate (PubChem CID 87182773) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate.

Molecular Properties

Compound Namemethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate
PubChem CID87182773
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Namemethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate
SMILESCOC(=O)C(C[C@@H](C=O)O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C15H30O4Si/c1-11(2)13(14(17)18-6)9-12(10-16)19-20(7,8)15(3,4)5/h10-13H,9H2,1-8H3/t12-,13?/m0/s1
InChIKeyGJCWMSMIVAUULE-UEWDXFNNSA-N
XLogP3.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate?
The IUPAC name of methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate (CID 87182773) is methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate.
What is the SMILES notation for methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate?
The canonical SMILES for methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate is COC(=O)C(C[C@@H](C=O)O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate?
The InChIKey is GJCWMSMIVAUULE-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-11(2)13(14(17)18-6)9-12(10-16)19-20(7,8)15(3,4)5/h10-13H,9H2,1-8H3/t12-,13?/m0/s1.
What are the key properties of methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate?
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate has a molecular weight of 302.49 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate is sourced from PubChem (CID 87182773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).