2-methylidene-4-trimethylsilylpentanoic acid

C9H18O2Si — CID 22486746

IUPAC2-methylidene-4-trimethylsilylpentanoic acid
SMILESC=C(CC(C)[Si](C)(C)C)C(=O)O
InChIInChI=1S/C9H18O2Si/c1-7(9(10)11)6-8(2)12(3,4)5/h8H,1,6H2,2-5H3,(H,10,11)
InChIKeyWUZVDSNKFZMKJT-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.75
Rot. Bonds4

About 2-methylidene-4-trimethylsilylpentanoic acid

2-methylidene-4-trimethylsilylpentanoic acid (PubChem CID 22486746) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 2-methylidene-4-trimethylsilylpentanoic acid.

Molecular Properties

Compound Name2-methylidene-4-trimethylsilylpentanoic acid
PubChem CID22486746
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name2-methylidene-4-trimethylsilylpentanoic acid
SMILESC=C(CC(C)[Si](C)(C)C)C(=O)O
InChIInChI=1S/C9H18O2Si/c1-7(9(10)11)6-8(2)12(3,4)5/h8H,1,6H2,2-5H3,(H,10,11)
InChIKeyWUZVDSNKFZMKJT-UHFFFAOYSA-N
XLogP2.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-methylidene-4-trimethylsilylpentanoic acid?
The IUPAC name of 2-methylidene-4-trimethylsilylpentanoic acid (CID 22486746) is 2-methylidene-4-trimethylsilylpentanoic acid.
What is the SMILES notation for 2-methylidene-4-trimethylsilylpentanoic acid?
The canonical SMILES for 2-methylidene-4-trimethylsilylpentanoic acid is C=C(CC(C)[Si](C)(C)C)C(=O)O.
What is the InChIKey of 2-methylidene-4-trimethylsilylpentanoic acid?
The InChIKey is WUZVDSNKFZMKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-7(9(10)11)6-8(2)12(3,4)5/h8H,1,6H2,2-5H3,(H,10,11).
What are the key properties of 2-methylidene-4-trimethylsilylpentanoic acid?
2-methylidene-4-trimethylsilylpentanoic acid has a molecular weight of 186.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-trimethylsilylpentanoic acid is sourced from PubChem (CID 22486746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).