4-(3-trimethylsilylprop-2-ynoxy)but-2-ynoic acid

C10H14O3Si — CID 86097791

IUPAC4-(3-trimethylsilylprop-2-ynoxy)but-2-ynoic acid
SMILESC[Si](C)(C)C#CCOCC#CC(=O)O
InChIInChI=1S/C10H14O3Si/c1-14(2,3)9-5-8-13-7-4-6-10(11)12/h7-8H2,1-3H3,(H,11,12)
InChIKeyCIVPOWMQQCBVET-UHFFFAOYSA-N
MW210.30 g/mol
LogP0.97
Rot. Bonds2

About 4-(3-trimethylsilylprop-2-ynoxy)but-2-ynoic acid

4-(3-trimethylsilylprop-2-ynoxy)but-2-ynoic acid (PubChem CID 86097791) has the molecular formula C10H14O3Si and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-(3-trimethylsilylprop-2-ynoxy)but-2-ynoic acid.

Molecular Properties

Compound Name4-(3-trimethylsilylprop-2-ynoxy)but-2-ynoic acid
PubChem CID86097791
Molecular FormulaC10H14O3Si
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name4-(3-trimethylsilylprop-2-ynoxy)but-2-ynoic acid
SMILESC[Si](C)(C)C#CCOCC#CC(=O)O
InChIInChI=1S/C10H14O3Si/c1-14(2,3)9-5-8-13-7-4-6-10(11)12/h7-8H2,1-3H3,(H,11,12)
InChIKeyCIVPOWMQQCBVET-UHFFFAOYSA-N
XLogP0.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-(3-trimethylsilylprop-2-ynoxy)but-2-ynoic acid?
The IUPAC name of 4-(3-trimethylsilylprop-2-ynoxy)but-2-ynoic acid (CID 86097791) is 4-(3-trimethylsilylprop-2-ynoxy)but-2-ynoic acid.
What is the SMILES notation for 4-(3-trimethylsilylprop-2-ynoxy)but-2-ynoic acid?
The canonical SMILES for 4-(3-trimethylsilylprop-2-ynoxy)but-2-ynoic acid is C[Si](C)(C)C#CCOCC#CC(=O)O.
What is the InChIKey of 4-(3-trimethylsilylprop-2-ynoxy)but-2-ynoic acid?
The InChIKey is CIVPOWMQQCBVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3Si/c1-14(2,3)9-5-8-13-7-4-6-10(11)12/h7-8H2,1-3H3,(H,11,12).
What are the key properties of 4-(3-trimethylsilylprop-2-ynoxy)but-2-ynoic acid?
4-(3-trimethylsilylprop-2-ynoxy)but-2-ynoic acid has a molecular weight of 210.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-trimethylsilylprop-2-ynoxy)but-2-ynoic acid is sourced from PubChem (CID 86097791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).