What is the molecular formula of 3-Ethyl-1-pentyn-3-ol?
The molecular formula is C7H12O.
What is the molecular weight of 3-Ethyl-1-pentyn-3-ol?
The molecular weight is 112.17 g/mol.
What is the IUPAC name of 3-Ethyl-1-pentyn-3-ol?
The IUPAC name is 3-ethylpent-1-yn-3-ol.
What is the InChI of 3-Ethyl-1-pentyn-3-ol?
The InChI is InChI=1S/C7H12O/c1-4-7(8,5-2)6-3/h1,8H,5-6H2,2-3H3.
What is the InChIKey of 3-Ethyl-1-pentyn-3-ol?
The InChIKey is PUNRPAWKFTXZIW-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Ethyl-1-pentyn-3-ol?
The canonical SMILES is CCC(CC)(C#C)O.
What is the CAS number of 3-Ethyl-1-pentyn-3-ol?
The CAS number is 6285-06-9.
What is the European Community (EC) number of 3-Ethyl-1-pentyn-3-ol?
The European Community (EC) number is 228-512-1.
What is the DSSTox Substance ID of 3-Ethyl-1-pentyn-3-ol?
The DSSTox Substance ID is DTXSID30212018.
Is 3-Ethyl-1-pentyn-3-ol a canonicalized compound?
Yes, 3-Ethyl-1-pentyn-3-ol is canonicalized according to PubChem.