2-[2-[[2,3-bis(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-3-(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate

C39H56O19 — CID 153437131

About 2-[2-[[2,3-bis(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-3-(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate

2-[2-[[2,3-bis(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-3-(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate (PubChem CID 153437131) has the molecular formula C39H56O19 and a molecular weight of 828.86 g/mol. Its IUPAC name is 2-[2-[[2,3-bis(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-3-(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate.

Molecular Properties

• Compound Name: 2-[2-[[2,3-bis(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-3-(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate
• PubChem CID: 153437131
• Molecular Formula: C39H56O19
• Molecular Weight: 828.86 g/mol
• Exact Mass: 828.34
• IUPAC Name: 2-[2-[[2,3-bis(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-3-(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate
• SMILES: C=CC(=O)OCCOCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)OCCOC(=O)C=C
• InChI: InChI=1S/C39H56O19/c1-7-32(40)52-18-13-46-25-38(26-47-14-19-53-33(41)8-2,27-48-15-20-54-34(42)9-3)28-51-31-39(58-24-23-57-37(45)12-6,29-49-16-21-55-35(43)10-4)30-50-17-22-56-36(44)11-5/h7-12H,1-6,13-31H2
• InChIKey: TYACTWGUYLIPGG-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 222.41 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 39
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.86
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

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 2-[2-[[2,3-bis(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-3-(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate?

The IUPAC name of 2-[2-[[2,3-bis(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-3-(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate (CID 153437131) is 2-[2-[[2,3-bis(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-3-(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate.

What is the SMILES notation for 2-[2-[[2,3-bis(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-3-(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate?

The canonical SMILES for 2-[2-[[2,3-bis(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-3-(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)OCCOC(=O)C=C.

What is the InChIKey of 2-[2-[[2,3-bis(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-3-(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate?

The InChIKey is TYACTWGUYLIPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H56O19/c1-7-32(40)52-18-13-46-25-38(26-47-14-19-53-33(41)8-2,27-48-15-20-54-34(42)9-3)28-51-31-39(58-24-23-57-37(45)12-6,29-49-16-21-55-35(43)10-4)30-50-17-22-56-36(44)11-5/h7-12H,1-6,13-31H2.

What are the key properties of 2-[2-[[2,3-bis(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-3-(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate?

2-[2-[[2,3-bis(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-3-(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate has a molecular weight of 828.86 g/mol, XLogP of 1.20, 39 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[2,3-bis(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-3-(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate is sourced from PubChem (CID 153437131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).