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

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

2-[2-[2-[2-[1-[1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 139594793) has the molecular formula C34H70O9 and a molecular weight of 622.92 g/mol. Its IUPAC name is 2-[2-[2-[2-[1-[1-[1-(1-tetradecoxypropan-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-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID	139594793
Molecular Formula	C34H70O9
Molecular Weight	622.92 g/mol
Exact Mass	622.50
IUPAC Name	2-[2-[2-[2-[1-[1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
SMILES	CCCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)OCC(C)OCCOCCOCCOCCO
InChI	InChI=1S/C34H70O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-39-27-31(2)41-29-33(4)43-30-34(5)42-28-32(3)40-26-25-38-24-23-37-22-21-36-20-18-35/h31-35H,6-30H2,1-5H3
InChIKey	DRXMZSSQDDYQOK-UHFFFAOYSA-N
XLogP	6.37
TPSA	94.07 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	36
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.92
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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-[2-[2-[1-[1-[1-(1-tetradecoxypropan-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-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol (CID 139594793) is 2-[2-[2-[2-[1-[1-[1-(1-tetradecoxypropan-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-tetradecoxypropan-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-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol is CCCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)OCC(C)OCCOCCOCCOCCO.

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

The InChIKey is DRXMZSSQDDYQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-39-27-31(2)41-29-33(4)43-30-34(5)42-28-32(3)40-26-25-38-24-23-37-22-21-36-20-18-35/h31-35H,6-30H2,1-5H3.

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

2-[2-[2-[2-[1-[1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 622.92 g/mol, XLogP of 6.37, 36 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[1-[1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 139594793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).