(2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid

C15H30O5Si — CID 16757387

IUPAC(2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid
SMILESCCC(C)[C@H](OC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C15H30O5Si/c1-9-10(2)12(13(16)17)19-14(18)11(3)20-21(7,8)15(4,5)6/h10-12H,9H2,1-8H3,(H,16,17)/t10?,11-,12-/m0/s1
InChIKeyLWKQMPBGLZKBSY-RAMGSTBQSA-N
MW318.49 g/mol
LogP3.44
Rot. Bonds7

About (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid

(2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid (PubChem CID 16757387) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid
PubChem CID16757387
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name(2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid
SMILESCCC(C)[C@H](OC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C15H30O5Si/c1-9-10(2)12(13(16)17)19-14(18)11(3)20-21(7,8)15(4,5)6/h10-12H,9H2,1-8H3,(H,16,17)/t10?,11-,12-/m0/s1
InChIKeyLWKQMPBGLZKBSY-RAMGSTBQSA-N
XLogP3.44
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid?
The IUPAC name of (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid (CID 16757387) is (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid is CCC(C)[C@H](OC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid?
The InChIKey is LWKQMPBGLZKBSY-RAMGSTBQSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-9-10(2)12(13(16)17)19-14(18)11(3)20-21(7,8)15(4,5)6/h10-12H,9H2,1-8H3,(H,16,17)/t10?,11-,12-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid?
(2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid has a molecular weight of 318.49 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid is sourced from PubChem (CID 16757387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).