2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene

C12H24O4 — CID 22133408

About 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene

2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene (PubChem CID 22133408) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene.

Molecular Properties

• Compound Name: 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene
• PubChem CID: 22133408
• Molecular Formula: C12H24O4
• Molecular Weight: 232.32 g/mol
• Exact Mass: 232.17
• IUPAC Name: 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene
• SMILES: C=C(C)COCC(=C)C.OCCOCCO
• InChI: InChI=1S/C8H14O.C4H10O3/c1-7(2)5-9-6-8(3)4;5-1-3-7-4-2-6/h1,3,5-6H2,2,4H3;5-6H,1-4H2
• InChIKey: UFJGLVYNODONQH-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 58.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	232.32
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene?

The IUPAC name of 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene (CID 22133408) is 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene.

What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene?

The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene is C=C(C)COCC(=C)C.OCCOCCO.

What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene?

The InChIKey is UFJGLVYNODONQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C4H10O3/c1-7(2)5-9-6-8(3)4;5-1-3-7-4-2-6/h1,3,5-6H2,2,4H3;5-6H,1-4H2.

What are the key properties of 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene?

2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene has a molecular weight of 232.32 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene is sourced from PubChem (CID 22133408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).