5-[dimethoxy(methyl)silyl]-2-methylidenepentanoic acid

C9H18O4Si — CID 54049537

IUPAC5-[dimethoxy(methyl)silyl]-2-methylidenepentanoic acid
SMILESC=C(CCC[Si](C)(OC)OC)C(=O)O
InChIInChI=1S/C9H18O4Si/c1-8(9(10)11)6-5-7-14(4,12-2)13-3/h1,5-7H2,2-4H3,(H,10,11)
InChIKeyLRXQOMNEHKMIBJ-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.77
Rot. Bonds7

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

5-[dimethoxy(methyl)silyl]-2-methylidenepentanoic acid (PubChem CID 54049537) has the molecular formula C9H18O4Si and a molecular weight of 218.32 g/mol. Its IUPAC name is 5-[dimethoxy(methyl)silyl]-2-methylidenepentanoic acid.

Molecular Properties

Compound Name5-[dimethoxy(methyl)silyl]-2-methylidenepentanoic acid
PubChem CID54049537
Molecular FormulaC9H18O4Si
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name5-[dimethoxy(methyl)silyl]-2-methylidenepentanoic acid
SMILESC=C(CCC[Si](C)(OC)OC)C(=O)O
InChIInChI=1S/C9H18O4Si/c1-8(9(10)11)6-5-7-14(4,12-2)13-3/h1,5-7H2,2-4H3,(H,10,11)
InChIKeyLRXQOMNEHKMIBJ-UHFFFAOYSA-N
XLogP1.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.77
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-[dimethoxy(methyl)silyl]-2-methylidenepentanoic acid?
The IUPAC name of 5-[dimethoxy(methyl)silyl]-2-methylidenepentanoic acid (CID 54049537) is 5-[dimethoxy(methyl)silyl]-2-methylidenepentanoic acid.
What is the SMILES notation for 5-[dimethoxy(methyl)silyl]-2-methylidenepentanoic acid?
The canonical SMILES for 5-[dimethoxy(methyl)silyl]-2-methylidenepentanoic acid is C=C(CCC[Si](C)(OC)OC)C(=O)O.
What is the InChIKey of 5-[dimethoxy(methyl)silyl]-2-methylidenepentanoic acid?
The InChIKey is LRXQOMNEHKMIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4Si/c1-8(9(10)11)6-5-7-14(4,12-2)13-3/h1,5-7H2,2-4H3,(H,10,11).
What are the key properties of 5-[dimethoxy(methyl)silyl]-2-methylidenepentanoic acid?
5-[dimethoxy(methyl)silyl]-2-methylidenepentanoic acid has a molecular weight of 218.32 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dimethoxy(methyl)silyl]-2-methylidenepentanoic acid is sourced from PubChem (CID 54049537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).