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

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

2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol (PubChem CID 139597772) has the molecular formula C31H64O8 and a molecular weight of 564.85 g/mol. Its IUPAC name is 2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol.

Molecular Properties

Compound Name	2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol
PubChem CID	139597772
Molecular Formula	C31H64O8
Molecular Weight	564.85 g/mol
Exact Mass	564.46
IUPAC Name	2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol
SMILES	CCCCCCCCCCCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCCOCCO
InChI	InChI=1S/C31H64O8/c1-7-8-9-10-11-12-13-14-15-16-18-34-22-27(2)36-24-29(4)38-26-31(6)39-25-30(5)37-23-28(3)35-21-20-33-19-17-32/h27-32H,7-26H2,1-6H3
InChIKey	WYMVOXJPGMMPSU-UHFFFAOYSA-N
XLogP	5.96
TPSA	84.84 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	31
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.85
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol (CID 139597772) is 2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol.

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

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

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

The InChIKey is WYMVOXJPGMMPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64O8/c1-7-8-9-10-11-12-13-14-15-16-18-34-22-27(2)36-24-29(4)38-26-31(6)39-25-30(5)37-23-28(3)35-21-20-33-19-17-32/h27-32H,7-26H2,1-6H3.

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

2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol has a molecular weight of 564.85 g/mol, XLogP of 5.96, 31 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol is sourced from PubChem (CID 139597772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).