2-butoxyethyl 2-methylprop-2-enoate;3-methoxyprop-2-enoic acid

C14H24O6 — CID 174875688

About 2-butoxyethyl 2-methylprop-2-enoate;3-methoxyprop-2-enoic acid

2-butoxyethyl 2-methylprop-2-enoate;3-methoxyprop-2-enoic acid (PubChem CID 174875688) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-butoxyethyl 2-methylprop-2-enoate;3-methoxyprop-2-enoic acid.

Molecular Properties

• Compound Name: 2-butoxyethyl 2-methylprop-2-enoate;3-methoxyprop-2-enoic acid
• PubChem CID: 174875688
• Molecular Formula: C14H24O6
• Molecular Weight: 288.34 g/mol
• Exact Mass: 288.16
• IUPAC Name: 2-butoxyethyl 2-methylprop-2-enoate;3-methoxyprop-2-enoic acid
• SMILES: C=C(C)C(=O)OCCOCCCC.COC=CC(=O)O
• InChI: InChI=1S/C10H18O3.C4H6O3/c1-4-5-6-12-7-8-13-10(11)9(2)3;1-7-3-2-4(5)6/h2,4-8H2,1,3H3;2-3H,1H3,(H,5,6)
• InChIKey: AGFRUVWPPAMKJH-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 82.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.34
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl 2-methylprop-2-enoate;3-methoxyprop-2-enoic acid?

The IUPAC name of 2-butoxyethyl 2-methylprop-2-enoate;3-methoxyprop-2-enoic acid (CID 174875688) is 2-butoxyethyl 2-methylprop-2-enoate;3-methoxyprop-2-enoic acid.

What is the SMILES notation for 2-butoxyethyl 2-methylprop-2-enoate;3-methoxyprop-2-enoic acid?

The canonical SMILES for 2-butoxyethyl 2-methylprop-2-enoate;3-methoxyprop-2-enoic acid is C=C(C)C(=O)OCCOCCCC.COC=CC(=O)O.

What is the InChIKey of 2-butoxyethyl 2-methylprop-2-enoate;3-methoxyprop-2-enoic acid?

The InChIKey is AGFRUVWPPAMKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3.C4H6O3/c1-4-5-6-12-7-8-13-10(11)9(2)3;1-7-3-2-4(5)6/h2,4-8H2,1,3H3;2-3H,1H3,(H,5,6).

What are the key properties of 2-butoxyethyl 2-methylprop-2-enoate;3-methoxyprop-2-enoic acid?

2-butoxyethyl 2-methylprop-2-enoate;3-methoxyprop-2-enoic acid has a molecular weight of 288.34 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butoxyethyl 2-methylprop-2-enoate;3-methoxyprop-2-enoic acid is sourced from PubChem (CID 174875688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).