2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid

C15H30O5Si — CID 73324175

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid
SMILESCCC(C)C(OC(=O)C(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)
InChIKeyLWKQMPBGLZKBSY-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.44
Rot. Bonds7

About 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid

2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid (PubChem CID 73324175) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid
PubChem CID73324175
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid
SMILESCCC(C)C(OC(=O)C(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)
InChIKeyLWKQMPBGLZKBSY-UHFFFAOYSA-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'}

Analyze 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid (CID 73324175) is 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid is CCC(C)C(OC(=O)C(C)O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid?
The InChIKey is LWKQMPBGLZKBSY-UHFFFAOYSA-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).
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid?
2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-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 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid is sourced from PubChem (CID 73324175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).