2-(2-hydroxyethoxy)ethanol;bis(7-methyloctanoic acid)

C22H46O7 — CID 57370936

IUPAC2-(2-hydroxyethoxy)ethanol;bis(7-methyloctanoic acid)
SMILESCC(C)CCCCCC(=O)O.CC(C)CCCCCC(=O)O.OCCOCCO
InChIInChI=1S/2C9H18O2.C4H10O3/c2*1-8(2)6-4-3-5-7-9(10)11;5-1-3-7-4-2-6/h2*8H,3-7H2,1-2H3,(H,10,11);5-6H,1-4H2
InChIKeyKTVYFGWWGCHZTJ-UHFFFAOYSA-N
MW422.60 g/mol
LogP4.34
Rot. Bonds16

About 2-(2-hydroxyethoxy)ethanol;bis(7-methyloctanoic acid)

2-(2-hydroxyethoxy)ethanol;bis(7-methyloctanoic acid) (PubChem CID 57370936) has the molecular formula C22H46O7 and a molecular weight of 422.60 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;bis(7-methyloctanoic acid).

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;bis(7-methyloctanoic acid)
PubChem CID57370936
Molecular FormulaC22H46O7
Molecular Weight422.60 g/mol
Exact Mass422.32
IUPAC Name2-(2-hydroxyethoxy)ethanol;bis(7-methyloctanoic acid)
SMILESCC(C)CCCCCC(=O)O.CC(C)CCCCCC(=O)O.OCCOCCO
InChIInChI=1S/2C9H18O2.C4H10O3/c2*1-8(2)6-4-3-5-7-9(10)11;5-1-3-7-4-2-6/h2*8H,3-7H2,1-2H3,(H,10,11);5-6H,1-4H2
InChIKeyKTVYFGWWGCHZTJ-UHFFFAOYSA-N
XLogP4.34
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 54.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;bis(7-methyloctanoic acid)?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;bis(7-methyloctanoic acid) (CID 57370936) is 2-(2-hydroxyethoxy)ethanol;bis(7-methyloctanoic acid).
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;bis(7-methyloctanoic acid)?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;bis(7-methyloctanoic acid) is CC(C)CCCCCC(=O)O.CC(C)CCCCCC(=O)O.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;bis(7-methyloctanoic acid)?
The InChIKey is KTVYFGWWGCHZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18O2.C4H10O3/c2*1-8(2)6-4-3-5-7-9(10)11;5-1-3-7-4-2-6/h2*8H,3-7H2,1-2H3,(H,10,11);5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;bis(7-methyloctanoic acid)?
2-(2-hydroxyethoxy)ethanol;bis(7-methyloctanoic acid) has a molecular weight of 422.60 g/mol, XLogP of 4.34, 16 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;bis(7-methyloctanoic acid) is sourced from PubChem (CID 57370936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).