1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate

C20H34O7 — CID 56999639

About 1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate

1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate (PubChem CID 56999639) has the molecular formula C20H34O7 and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
• PubChem CID: 56999639
• Molecular Formula: C20H34O7
• Molecular Weight: 386.49 g/mol
• Exact Mass: 386.23
• IUPAC Name: 1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(C)COC(C)COCC(C)OCC(C)OC(=O)C(=C)C
• InChI: InChI=1S/C20H34O7/c1-13(2)19(21)26-17(7)11-24-15(5)9-23-10-16(6)25-12-18(8)27-20(22)14(3)4/h15-18H,1,3,9-12H2,2,4-8H3
• InChIKey: KSYWALZLTAQGBY-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.49
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate?

The IUPAC name of 1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate (CID 56999639) is 1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate.

What is the SMILES notation for 1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate?

The canonical SMILES for 1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)COC(C)COCC(C)OCC(C)OC(=O)C(=C)C.

What is the InChIKey of 1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate?

The InChIKey is KSYWALZLTAQGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O7/c1-13(2)19(21)26-17(7)11-24-15(5)9-23-10-16(6)25-12-18(8)27-20(22)14(3)4/h15-18H,1,3,9-12H2,2,4-8H3.

What are the key properties of 1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate?

1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate has a molecular weight of 386.49 g/mol, XLogP of 2.83, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 56999639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).