2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene)

C21H36O6 — CID 87981100

About 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene)

2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene) (PubChem CID 87981100) has the molecular formula C21H36O6 and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene).

Molecular Properties

• Compound Name: 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene)
• PubChem CID: 87981100
• Molecular Formula: C21H36O6
• Molecular Weight: 384.51 g/mol
• Exact Mass: 384.25
• IUPAC Name: 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene)
• SMILES: C=C(C)C(=O)OCCOCC(C)OCCOC(=O)C(=C)C.C=CC.C=CC
• InChI: InChI=1S/C15H24O6.2C3H6/c1-11(2)14(16)20-7-6-18-10-13(5)19-8-9-21-15(17)12(3)4;2*1-3-2/h13H,1,3,6-10H2,2,4-5H3;2*3H,1H2,2H3
• InChIKey: NSWNDXRRAVURSL-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.51
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene)?

The IUPAC name of 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene) (CID 87981100) is 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene).

What is the SMILES notation for 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene)?

The canonical SMILES for 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene) is C=C(C)C(=O)OCCOCC(C)OCCOC(=O)C(=C)C.C=CC.C=CC.

What is the InChIKey of 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene)?

The InChIKey is NSWNDXRRAVURSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6.2C3H6/c1-11(2)14(16)20-7-6-18-10-13(5)19-8-9-21-15(17)12(3)4;2*1-3-2/h13H,1,3,6-10H2,2,4-5H3;2*3H,1H2,2H3.

What are the key properties of 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene)?

2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene) has a molecular weight of 384.51 g/mol, XLogP of 4.03, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene) is sourced from PubChem (CID 87981100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).