1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate

C27H50O10 — CID 87968331

About 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate

1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate (PubChem CID 87968331) has the molecular formula C27H50O10 and a molecular weight of 534.69 g/mol. Its IUPAC name is 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate.

Molecular Properties

• Compound Name: 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
• PubChem CID: 87968331
• Molecular Formula: C27H50O10
• Molecular Weight: 534.69 g/mol
• Exact Mass: 534.34
• IUPAC Name: 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
• SMILES: C=C(C)C(=O)OC(C)COC(C)COC(C)COC.C=CC(=O)OC(C)COC(C)COC(C)COC
• InChI: InChI=1S/C14H26O5.C13H24O5/c1-10(2)14(15)19-13(5)9-18-12(4)8-17-11(3)7-16-6;1-6-13(14)18-12(4)9-17-11(3)8-16-10(2)7-15-5/h11-13H,1,7-9H2,2-6H3;6,10-12H,1,7-9H2,2-5H3
• InChIKey: JWCDYTDKDFGXQG-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 107.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.69
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate?

The IUPAC name of 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate (CID 87968331) is 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate.

What is the SMILES notation for 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate?

The canonical SMILES for 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate is C=C(C)C(=O)OC(C)COC(C)COC(C)COC.C=CC(=O)OC(C)COC(C)COC(C)COC.

What is the InChIKey of 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate?

The InChIKey is JWCDYTDKDFGXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5.C13H24O5/c1-10(2)14(15)19-13(5)9-18-12(4)8-17-11(3)7-16-6;1-6-13(14)18-12(4)9-17-11(3)8-16-10(2)7-15-5/h11-13H,1,7-9H2,2-6H3;6,10-12H,1,7-9H2,2-5H3.

What are the key properties of 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate?

1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate has a molecular weight of 534.69 g/mol, XLogP of 3.51, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate is sourced from PubChem (CID 87968331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).