5-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid

C13H30O4Si3 — CID 54006489

IUPAC5-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid
SMILESC=C(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C13H30O4Si3/c1-12(13(14)15)10-9-11-20(8,16-18(2,3)4)17-19(5,6)7/h1,9-11H2,2-8H3,(H,14,15)
InChIKeyKPFXMLNZEATWGY-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.18
Rot. Bonds9

About 5-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid

5-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid (PubChem CID 54006489) has the molecular formula C13H30O4Si3 and a molecular weight of 334.64 g/mol. Its IUPAC name is 5-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid.

Molecular Properties

Compound Name5-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid
PubChem CID54006489
Molecular FormulaC13H30O4Si3
Molecular Weight334.64 g/mol
Exact Mass334.15
IUPAC Name5-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid
SMILESC=C(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C13H30O4Si3/c1-12(13(14)15)10-9-11-20(8,16-18(2,3)4)17-19(5,6)7/h1,9-11H2,2-8H3,(H,14,15)
InChIKeyKPFXMLNZEATWGY-UHFFFAOYSA-N
XLogP4.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid?
The IUPAC name of 5-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid (CID 54006489) is 5-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid.
What is the SMILES notation for 5-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid?
The canonical SMILES for 5-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid is C=C(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O.
What is the InChIKey of 5-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid?
The InChIKey is KPFXMLNZEATWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O4Si3/c1-12(13(14)15)10-9-11-20(8,16-18(2,3)4)17-19(5,6)7/h1,9-11H2,2-8H3,(H,14,15).
What are the key properties of 5-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid?
5-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid has a molecular weight of 334.64 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid is sourced from PubChem (CID 54006489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).