2-[2-[7-[2-(2-hydroxyethoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]ethanol

C22H42O6 — CID 10111744

IUPAC2-[2-[7-[2-(2-hydroxyethoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]ethanol
SMILESCC(C)CC(C)(C#CC(C)(CC(C)C)OCCOCCO)OCCOCCO
InChIInChI=1S/C22H42O6/c1-19(2)17-21(5,27-15-13-25-11-9-23)7-8-22(6,18-20(3)4)28-16-14-26-12-10-24/h19-20,23-24H,9-18H2,1-6H3
InChIKeyLDSGZSJZXQLVKH-UHFFFAOYSA-N
MW402.57 g/mol
LogP2.65
Rot. Bonds16

About 2-[2-[7-[2-(2-hydroxyethoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]ethanol

2-[2-[7-[2-(2-hydroxyethoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]ethanol (PubChem CID 10111744) has the molecular formula C22H42O6 and a molecular weight of 402.57 g/mol. Its IUPAC name is 2-[2-[7-[2-(2-hydroxyethoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[7-[2-(2-hydroxyethoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]ethanol
PubChem CID10111744
Molecular FormulaC22H42O6
Molecular Weight402.57 g/mol
Exact Mass402.30
IUPAC Name2-[2-[7-[2-(2-hydroxyethoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]ethanol
SMILESCC(C)CC(C)(C#CC(C)(CC(C)C)OCCOCCO)OCCOCCO
InChIInChI=1S/C22H42O6/c1-19(2)17-21(5,27-15-13-25-11-9-23)7-8-22(6,18-20(3)4)28-16-14-26-12-10-24/h19-20,23-24H,9-18H2,1-6H3
InChIKeyLDSGZSJZXQLVKH-UHFFFAOYSA-N
XLogP2.65
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.57
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-[2-(2-hydroxyethoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]ethanol?
The IUPAC name of 2-[2-[7-[2-(2-hydroxyethoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]ethanol (CID 10111744) is 2-[2-[7-[2-(2-hydroxyethoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]ethanol.
What is the SMILES notation for 2-[2-[7-[2-(2-hydroxyethoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]ethanol?
The canonical SMILES for 2-[2-[7-[2-(2-hydroxyethoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]ethanol is CC(C)CC(C)(C#CC(C)(CC(C)C)OCCOCCO)OCCOCCO.
What is the InChIKey of 2-[2-[7-[2-(2-hydroxyethoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]ethanol?
The InChIKey is LDSGZSJZXQLVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O6/c1-19(2)17-21(5,27-15-13-25-11-9-23)7-8-22(6,18-20(3)4)28-16-14-26-12-10-24/h19-20,23-24H,9-18H2,1-6H3.
What are the key properties of 2-[2-[7-[2-(2-hydroxyethoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]ethanol?
2-[2-[7-[2-(2-hydroxyethoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]ethanol has a molecular weight of 402.57 g/mol, XLogP of 2.65, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-[2-(2-hydroxyethoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]ethanol is sourced from PubChem (CID 10111744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).