bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

C20H42O9 — CID 87064442

IUPACbis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
SMILESCCCCCC(=O)O.CCCCCC(=O)O.OCCOCCOCCOCCO
InChIInChI=1S/C8H18O5.2C6H12O2/c9-1-3-11-5-7-13-8-6-12-4-2-10;2*1-2-3-4-5-6(7)8/h9-10H,1-8H2;2*2-5H2,1H3,(H,7,8)
InChIKeyNXGJGBIGLQOPJC-UHFFFAOYSA-N
MW426.55 g/mol
LogP2.32
Rot. Bonds18

About bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol (PubChem CID 87064442) has the molecular formula C20H42O9 and a molecular weight of 426.55 g/mol. Its IUPAC name is bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Namebis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
PubChem CID87064442
Molecular FormulaC20H42O9
Molecular Weight426.55 g/mol
Exact Mass426.28
IUPAC Namebis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
SMILESCCCCCC(=O)O.CCCCCC(=O)O.OCCOCCOCCOCCO
InChIInChI=1S/C8H18O5.2C6H12O2/c9-1-3-11-5-7-13-8-6-12-4-2-10;2*1-2-3-4-5-6(7)8/h9-10H,1-8H2;2*2-5H2,1H3,(H,7,8)
InChIKeyNXGJGBIGLQOPJC-UHFFFAOYSA-N
XLogP2.32
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

heptanoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87510106
dodecanoic acid;2-(2-hydroxyethoxy)ethanol;sulfuric acid
CID 88843146
bis(hexanedioic acid);2-(2-hydroxyethoxy)ethanol
CID 159827287
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tricosa-10,12-diynoic acid
CID 87841478
acetic acid;2-(2-hydroxyethoxy)ethanol;octadec-9-enoic acid
CID 173013662
15-pentoxypentadecanoic acid
CID 89280169
2-(2-ethoxyethoxy)ethanol;(9Z,12Z)-octadeca-9,12-dienoic acid
CID 175146273
acetic acid;dodecanoic acid;1-tetradecoxytetradecane
CID 158382459
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139594206
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139595493
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139596714
2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate
CID 176892143

Frequently Asked Questions

What is the IUPAC name of bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol (CID 87064442) is bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol is CCCCCC(=O)O.CCCCCC(=O)O.OCCOCCOCCOCCO.
What is the InChIKey of bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
The InChIKey is NXGJGBIGLQOPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5.2C6H12O2/c9-1-3-11-5-7-13-8-6-12-4-2-10;2*1-2-3-4-5-6(7)8/h9-10H,1-8H2;2*2-5H2,1H3,(H,7,8).
What are the key properties of bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 426.55 g/mol, XLogP of 2.32, 18 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 87064442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).