2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate

C15H30O4Si — CID 10542433

IUPAC2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
SMILESCC(C)COC(=O)C[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-12(2)11-18-14(17)10-13(8-9-16)19-20(6,7)15(3,4)5/h9,12-13H,8,10-11H2,1-7H3/t13-/m0/s1
InChIKeyLDNWVHUYXCVHMB-ZDUSSCGKSA-N
MW302.49 g/mol
LogP3.56
Rot. Bonds8

About 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate

2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate (PubChem CID 10542433) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate.

Molecular Properties

Compound Name2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
PubChem CID10542433
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
SMILESCC(C)COC(=O)C[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-12(2)11-18-14(17)10-13(8-9-16)19-20(6,7)15(3,4)5/h9,12-13H,8,10-11H2,1-7H3/t13-/m0/s1
InChIKeyLDNWVHUYXCVHMB-ZDUSSCGKSA-N
XLogP3.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.56
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 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The IUPAC name of 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate (CID 10542433) is 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate.
What is the SMILES notation for 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The canonical SMILES for 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate is CC(C)COC(=O)C[C@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The InChIKey is LDNWVHUYXCVHMB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-12(2)11-18-14(17)10-13(8-9-16)19-20(6,7)15(3,4)5/h9,12-13H,8,10-11H2,1-7H3/t13-/m0/s1.
What are the key properties of 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate has a molecular weight of 302.49 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate is sourced from PubChem (CID 10542433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).