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

C26H54O8 — CID 122657779

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-propylheptanoic acid)
SMILESCCCCCC(CCC)C(=O)O.CCCCCC(CCC)C(=O)O.OCCOCCOCCO
InChIInChI=1S/2C10H20O2.C6H14O4/c2*1-3-5-6-8-9(7-4-2)10(11)12;7-1-3-9-5-6-10-4-2-8/h2*9H,3-8H2,1-2H3,(H,11,12);7-8H,1-6H2
InChIKeyLLNAMZDNLMPHEC-UHFFFAOYSA-N
MW494.71 g/mol
LogP5.14
Rot. Bonds21

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

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-propylheptanoic acid) (PubChem CID 122657779) has the molecular formula C26H54O8 and a molecular weight of 494.71 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-propylheptanoic acid).

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-propylheptanoic acid)
PubChem CID122657779
Molecular FormulaC26H54O8
Molecular Weight494.71 g/mol
Exact Mass494.38
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-propylheptanoic acid)
SMILESCCCCCC(CCC)C(=O)O.CCCCCC(CCC)C(=O)O.OCCOCCOCCO
InChIInChI=1S/2C10H20O2.C6H14O4/c2*1-3-5-6-8-9(7-4-2)10(11)12;7-1-3-9-5-6-10-4-2-8/h2*9H,3-8H2,1-2H3,(H,11,12);7-8H,1-6H2
InChIKeyLLNAMZDNLMPHEC-UHFFFAOYSA-N
XLogP5.14
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.71
LogP ≤ 55.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(2-propylheptanoic acid)
CID 122657777
2-(4-hydroxybutyl)octadecanoic acid
CID 88766543
2-(10-hydroxydecyl)icosanoic acid
CID 87534717
2-propylhexadecanoic acid
CID 10040360
2-propylheptadecanoic acid
CID 22251985
11-butylperoxy-2-propylundecanoic acid
CID 90203586
2-(2-hydroxyethyl)tetradecanoic acid
CID 54117326
2-(2-hydroxyethyl)octadecanoic acid
CID 19915552
2-hexylnonanoic acid
CID 18521424
2-dodecyldotriacontanoic acid
CID 90853745
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625
2-hexylpentacosanoic acid
CID 158257677

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-propylheptanoic acid)?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-propylheptanoic acid) (CID 122657779) is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-propylheptanoic acid).
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-propylheptanoic acid)?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-propylheptanoic acid) is CCCCCC(CCC)C(=O)O.CCCCCC(CCC)C(=O)O.OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-propylheptanoic acid)?
The InChIKey is LLNAMZDNLMPHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20O2.C6H14O4/c2*1-3-5-6-8-9(7-4-2)10(11)12;7-1-3-9-5-6-10-4-2-8/h2*9H,3-8H2,1-2H3,(H,11,12);7-8H,1-6H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-propylheptanoic acid)?
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-propylheptanoic acid) has a molecular weight of 494.71 g/mol, XLogP of 5.14, 21 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-propylheptanoic acid) is sourced from PubChem (CID 122657779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).