2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

C19H40O6 — CID 172771806

IUPAC2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCCC(CCC)OCCOCCOCCOCCOCCO
InChIInChI=1S/C19H40O6/c1-3-5-6-8-19(7-4-2)25-18-17-24-16-15-23-14-13-22-12-11-21-10-9-20/h19-20H,3-18H2,1-2H3
InChIKeyNBCGHWOJVDOGNL-UHFFFAOYSA-N
MW364.52 g/mol
LogP2.81
Rot. Bonds21

About 2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 172771806) has the molecular formula C19H40O6 and a molecular weight of 364.52 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
PubChem CID172771806
Molecular FormulaC19H40O6
Molecular Weight364.52 g/mol
Exact Mass364.28
IUPAC Name2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCCC(CCC)OCCOCCOCCOCCOCCO
InChIInChI=1S/C19H40O6/c1-3-5-6-8-19(7-4-2)25-18-17-24-16-15-23-14-13-22-12-11-21-10-9-20/h19-20H,3-18H2,1-2H3
InChIKeyNBCGHWOJVDOGNL-UHFFFAOYSA-N
XLogP2.81
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol (CID 172771806) is 2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol is CCCCCC(CCC)OCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is NBCGHWOJVDOGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O6/c1-3-5-6-8-19(7-4-2)25-18-17-24-16-15-23-14-13-22-12-11-21-10-9-20/h19-20H,3-18H2,1-2H3.
What are the key properties of 2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 364.52 g/mol, XLogP of 2.81, 21 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 172771806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).