bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)

C44H64O20 — CID 160660181

About bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)

bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate) (PubChem CID 160660181) has the molecular formula C44H64O20 and a molecular weight of 912.98 g/mol. Its IUPAC name is bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate).

Molecular Properties

• Compound Name: bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
• PubChem CID: 160660181
• Molecular Formula: C44H64O20
• Molecular Weight: 912.98 g/mol
• Exact Mass: 912.40
• IUPAC Name: bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
• SMILES: C=C(C)C(=O)OCCOCCOC(=O)C(=C)C.C=C(C)C(=O)OCCOCCOC(=O)C(=C)C.C=CC(=O)OCCOCCOC(=O)C=C.C=CC(=O)OCCOCCOC(=O)C=C
• InChI: InChI=1S/2C12H18O5.2C10H14O5/c2*1-9(2)11(13)16-7-5-15-6-8-17-12(14)10(3)4;2*1-3-9(11)14-7-5-13-6-8-15-10(12)4-2/h2*1,3,5-8H2,2,4H3;2*3-4H,1-2,5-8H2
• InChIKey: RLOLQPJNFSKSAJ-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 247.32 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	912.98
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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 bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)?

The IUPAC name of bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate) (CID 160660181) is bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate).

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

The canonical SMILES for bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate) is C=C(C)C(=O)OCCOCCOC(=O)C(=C)C.C=C(C)C(=O)OCCOCCOC(=O)C(=C)C.C=CC(=O)OCCOCCOC(=O)C=C.C=CC(=O)OCCOCCOC(=O)C=C.

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

The InChIKey is RLOLQPJNFSKSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18O5.2C10H14O5/c2*1-9(2)11(13)16-7-5-15-6-8-17-12(14)10(3)4;2*1-3-9(11)14-7-5-13-6-8-15-10(12)4-2/h2*1,3,5-8H2,2,4H3;2*3-4H,1-2,5-8H2.

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

bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate) has a molecular weight of 912.98 g/mol, XLogP of 3.41, 32 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate) is sourced from PubChem (CID 160660181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).