1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate

C23H44O8 — CID 525169

About 1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate

1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate (PubChem CID 525169) has the molecular formula C23H44O8 and a molecular weight of 448.60 g/mol. Its IUPAC name is 1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate.

Molecular Properties

• Compound Name: 1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
• PubChem CID: 525169
• Molecular Formula: C23H44O8
• Molecular Weight: 448.60 g/mol
• Exact Mass: 448.30
• IUPAC Name: 1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
• SMILES: C=CCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OC(C)=O
• InChI: InChI=1S/C23H44O8/c1-9-10-25-11-17(2)26-12-18(3)27-13-19(4)28-14-20(5)29-15-21(6)30-16-22(7)31-23(8)24/h9,17-22H,1,10-16H2,2-8H3
• InChIKey: PUCZRBPORLLARC-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 81.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.60
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate?

The IUPAC name of 1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate (CID 525169) is 1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate.

What is the SMILES notation for 1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate?

The canonical SMILES for 1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate is C=CCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OC(C)=O.

What is the InChIKey of 1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate?

The InChIKey is PUCZRBPORLLARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O8/c1-9-10-25-11-17(2)26-12-18(3)27-13-19(4)28-14-20(5)29-15-21(6)30-16-22(7)31-23(8)24/h9,17-22H,1,10-16H2,2-8H3.

What are the key properties of 1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate?

1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate has a molecular weight of 448.60 g/mol, XLogP of 3.17, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate is sourced from PubChem (CID 525169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).