2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol

C35H72O10 — CID 139596934

About 2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 139596934) has the molecular formula C35H72O10 and a molecular weight of 652.95 g/mol. Its IUPAC name is 2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 139596934
• Molecular Formula: C35H72O10
• Molecular Weight: 652.95 g/mol
• Exact Mass: 652.51
• IUPAC Name: 2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
• SMILES: CCCCCCCCCCCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCCOCCOCCOCCO
• InChI: InChI=1S/C35H72O10/c1-7-8-9-10-11-12-13-14-15-16-18-40-26-31(2)42-28-33(4)44-30-35(6)45-29-34(5)43-27-32(3)41-25-24-39-23-22-38-21-20-37-19-17-36/h31-36H,7-30H2,1-6H3
• InChIKey: RLTKXCNYNBYFNT-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 103.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 37
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.95
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol (CID 139596934) is 2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol is CCCCCCCCCCCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCCOCCOCCOCCO.

What is the InChIKey of 2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is RLTKXCNYNBYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H72O10/c1-7-8-9-10-11-12-13-14-15-16-18-40-26-31(2)42-28-33(4)44-30-35(6)45-29-34(5)43-27-32(3)41-25-24-39-23-22-38-21-20-37-19-17-36/h31-36H,7-30H2,1-6H3.

What are the key properties of 2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 652.95 g/mol, XLogP of 5.99, 37 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 139596934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).