2-[2-[3-[3-[3-(methoxymethoxymethoxy)propoxymethoxy]propoxymethoxy]propoxy]ethoxy]ethanol

C18H38O10 — CID 5289132

IUPAC2-[2-[3-[3-[3-(methoxymethoxymethoxy)propoxymethoxy]propoxymethoxy]propoxy]ethoxy]ethanol
SMILESCOCOCOCCCOCOCCCOCOCCCOCCOCCO
InChIInChI=1S/C18H38O10/c1-20-15-28-18-27-11-4-10-26-17-25-9-3-8-24-16-23-7-2-6-21-13-14-22-12-5-19/h19H,2-18H2,1H3
InChIKeyQWFVLQGKSBVBBY-UHFFFAOYSA-N
MW414.49 g/mol
LogP0.76
Rot. Bonds25

About 2-[2-[3-[3-[3-(methoxymethoxymethoxy)propoxymethoxy]propoxymethoxy]propoxy]ethoxy]ethanol

2-[2-[3-[3-[3-(methoxymethoxymethoxy)propoxymethoxy]propoxymethoxy]propoxy]ethoxy]ethanol (PubChem CID 5289132) has the molecular formula C18H38O10 and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-[2-[3-[3-[3-(methoxymethoxymethoxy)propoxymethoxy]propoxymethoxy]propoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[3-[3-[3-(methoxymethoxymethoxy)propoxymethoxy]propoxymethoxy]propoxy]ethoxy]ethanol
PubChem CID5289132
Molecular FormulaC18H38O10
Molecular Weight414.49 g/mol
Exact Mass414.25
IUPAC Name2-[2-[3-[3-[3-(methoxymethoxymethoxy)propoxymethoxy]propoxymethoxy]propoxy]ethoxy]ethanol
SMILESCOCOCOCCCOCOCCCOCOCCCOCCOCCO
InChIInChI=1S/C18H38O10/c1-20-15-28-18-27-11-4-10-26-17-25-9-3-8-24-16-23-7-2-6-21-13-14-22-12-5-19/h19H,2-18H2,1H3
InChIKeyQWFVLQGKSBVBBY-UHFFFAOYSA-N
XLogP0.76
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[3-[3-(methoxymethoxymethoxy)propoxymethoxy]propoxymethoxy]propoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[3-[3-[3-(methoxymethoxymethoxy)propoxymethoxy]propoxymethoxy]propoxy]ethoxy]ethanol (CID 5289132) is 2-[2-[3-[3-[3-(methoxymethoxymethoxy)propoxymethoxy]propoxymethoxy]propoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[3-[3-[3-(methoxymethoxymethoxy)propoxymethoxy]propoxymethoxy]propoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[3-[3-[3-(methoxymethoxymethoxy)propoxymethoxy]propoxymethoxy]propoxy]ethoxy]ethanol is COCOCOCCCOCOCCCOCOCCCOCCOCCO.
What is the InChIKey of 2-[2-[3-[3-[3-(methoxymethoxymethoxy)propoxymethoxy]propoxymethoxy]propoxy]ethoxy]ethanol?
The InChIKey is QWFVLQGKSBVBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O10/c1-20-15-28-18-27-11-4-10-26-17-25-9-3-8-24-16-23-7-2-6-21-13-14-22-12-5-19/h19H,2-18H2,1H3.
What are the key properties of 2-[2-[3-[3-[3-(methoxymethoxymethoxy)propoxymethoxy]propoxymethoxy]propoxy]ethoxy]ethanol?
2-[2-[3-[3-[3-(methoxymethoxymethoxy)propoxymethoxy]propoxymethoxy]propoxy]ethoxy]ethanol has a molecular weight of 414.49 g/mol, XLogP of 0.76, 25 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[3-[3-(methoxymethoxymethoxy)propoxymethoxy]propoxymethoxy]propoxy]ethoxy]ethanol is sourced from PubChem (CID 5289132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).