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

C28H58O9 — CID 122657777

IUPAC2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(2-propylheptanoic acid)
SMILESCCCCCC(CCC)C(=O)O.CCCCCC(CCC)C(=O)O.OCCOCCOCCOCCO
InChIInChI=1S/2C10H20O2.C8H18O5/c2*1-3-5-6-8-9(7-4-2)10(11)12;9-1-3-11-5-7-13-8-6-12-4-2-10/h2*9H,3-8H2,1-2H3,(H,11,12);9-10H,1-8H2
InChIKeyHLOADPTZXWPYDL-UHFFFAOYSA-N
MW538.76 g/mol
LogP5.16
Rot. Bonds24

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

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(2-propylheptanoic acid) (PubChem CID 122657777) has the molecular formula C28H58O9 and a molecular weight of 538.76 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(2-propylheptanoic acid).

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(2-propylheptanoic acid)
PubChem CID122657777
Molecular FormulaC28H58O9
Molecular Weight538.76 g/mol
Exact Mass538.41
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(2-propylheptanoic acid)
SMILESCCCCCC(CCC)C(=O)O.CCCCCC(CCC)C(=O)O.OCCOCCOCCOCCO
InChIInChI=1S/2C10H20O2.C8H18O5/c2*1-3-5-6-8-9(7-4-2)10(11)12;9-1-3-11-5-7-13-8-6-12-4-2-10/h2*9H,3-8H2,1-2H3,(H,11,12);9-10H,1-8H2
InChIKeyHLOADPTZXWPYDL-UHFFFAOYSA-N
XLogP5.16
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.76
LogP ≤ 55.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-propylheptanoic acid)
CID 122657779
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-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(2-propylheptanoic acid)?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(2-propylheptanoic acid) (CID 122657777) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(2-propylheptanoic acid).
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(2-propylheptanoic acid)?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(2-propylheptanoic acid) is CCCCCC(CCC)C(=O)O.CCCCCC(CCC)C(=O)O.OCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(2-propylheptanoic acid)?
The InChIKey is HLOADPTZXWPYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20O2.C8H18O5/c2*1-3-5-6-8-9(7-4-2)10(11)12;9-1-3-11-5-7-13-8-6-12-4-2-10/h2*9H,3-8H2,1-2H3,(H,11,12);9-10H,1-8H2.
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(2-propylheptanoic acid)?
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(2-propylheptanoic acid) has a molecular weight of 538.76 g/mol, XLogP of 5.16, 24 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(2-propylheptanoic acid) is sourced from PubChem (CID 122657777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).