3-methylidene-5-trimethylsilylpent-4-ynoic acid

C9H14O2Si — CID 11074045

IUPAC3-methylidene-5-trimethylsilylpent-4-ynoic acid
SMILESC=C(C#C[Si](C)(C)C)CC(=O)O
InChIInChI=1S/C9H14O2Si/c1-8(7-9(10)11)5-6-12(2,3)4/h1,7H2,2-4H3,(H,10,11)
InChIKeyUYMHPBLQJFTHEK-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.90
Rot. Bonds2

About 3-methylidene-5-trimethylsilylpent-4-ynoic acid

3-methylidene-5-trimethylsilylpent-4-ynoic acid (PubChem CID 11074045) has the molecular formula C9H14O2Si and a molecular weight of 182.29 g/mol. Its IUPAC name is 3-methylidene-5-trimethylsilylpent-4-ynoic acid.

Molecular Properties

Compound Name3-methylidene-5-trimethylsilylpent-4-ynoic acid
PubChem CID11074045
Molecular FormulaC9H14O2Si
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name3-methylidene-5-trimethylsilylpent-4-ynoic acid
SMILESC=C(C#C[Si](C)(C)C)CC(=O)O
InChIInChI=1S/C9H14O2Si/c1-8(7-9(10)11)5-6-12(2,3)4/h1,7H2,2-4H3,(H,10,11)
InChIKeyUYMHPBLQJFTHEK-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5-trimethylsilylpent-4-ynoic acid?
The IUPAC name of 3-methylidene-5-trimethylsilylpent-4-ynoic acid (CID 11074045) is 3-methylidene-5-trimethylsilylpent-4-ynoic acid.
What is the SMILES notation for 3-methylidene-5-trimethylsilylpent-4-ynoic acid?
The canonical SMILES for 3-methylidene-5-trimethylsilylpent-4-ynoic acid is C=C(C#C[Si](C)(C)C)CC(=O)O.
What is the InChIKey of 3-methylidene-5-trimethylsilylpent-4-ynoic acid?
The InChIKey is UYMHPBLQJFTHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2Si/c1-8(7-9(10)11)5-6-12(2,3)4/h1,7H2,2-4H3,(H,10,11).
What are the key properties of 3-methylidene-5-trimethylsilylpent-4-ynoic acid?
3-methylidene-5-trimethylsilylpent-4-ynoic acid has a molecular weight of 182.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-trimethylsilylpent-4-ynoic acid is sourced from PubChem (CID 11074045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).