2-(1-hydroxyethyl)-5-trimethylsilylpent-4-ynoic acid

C10H18O3Si — CID 18334003

IUPAC2-(1-hydroxyethyl)-5-trimethylsilylpent-4-ynoic acid
SMILESCC(O)C(CC#C[Si](C)(C)C)C(=O)O
InChIInChI=1S/C10H18O3Si/c1-8(11)9(10(12)13)6-5-7-14(2,3)4/h8-9,11H,6H2,1-4H3,(H,12,13)
InChIKeyUVBZTEQQHJRHSL-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.34
Rot. Bonds3

About 2-(1-hydroxyethyl)-5-trimethylsilylpent-4-ynoic acid

2-(1-hydroxyethyl)-5-trimethylsilylpent-4-ynoic acid (PubChem CID 18334003) has the molecular formula C10H18O3Si and a molecular weight of 214.34 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-5-trimethylsilylpent-4-ynoic acid.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-5-trimethylsilylpent-4-ynoic acid
PubChem CID18334003
Molecular FormulaC10H18O3Si
Molecular Weight214.34 g/mol
Exact Mass214.10
IUPAC Name2-(1-hydroxyethyl)-5-trimethylsilylpent-4-ynoic acid
SMILESCC(O)C(CC#C[Si](C)(C)C)C(=O)O
InChIInChI=1S/C10H18O3Si/c1-8(11)9(10(12)13)6-5-7-14(2,3)4/h8-9,11H,6H2,1-4H3,(H,12,13)
InChIKeyUVBZTEQQHJRHSL-UHFFFAOYSA-N
XLogP1.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(1-hydroxyethyl)-5-trimethylsilylpent-4-ynoic acid?
The IUPAC name of 2-(1-hydroxyethyl)-5-trimethylsilylpent-4-ynoic acid (CID 18334003) is 2-(1-hydroxyethyl)-5-trimethylsilylpent-4-ynoic acid.
What is the SMILES notation for 2-(1-hydroxyethyl)-5-trimethylsilylpent-4-ynoic acid?
The canonical SMILES for 2-(1-hydroxyethyl)-5-trimethylsilylpent-4-ynoic acid is CC(O)C(CC#C[Si](C)(C)C)C(=O)O.
What is the InChIKey of 2-(1-hydroxyethyl)-5-trimethylsilylpent-4-ynoic acid?
The InChIKey is UVBZTEQQHJRHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3Si/c1-8(11)9(10(12)13)6-5-7-14(2,3)4/h8-9,11H,6H2,1-4H3,(H,12,13).
What are the key properties of 2-(1-hydroxyethyl)-5-trimethylsilylpent-4-ynoic acid?
2-(1-hydroxyethyl)-5-trimethylsilylpent-4-ynoic acid has a molecular weight of 214.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-5-trimethylsilylpent-4-ynoic acid is sourced from PubChem (CID 18334003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).