3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol

C10H22O7 — CID 22358954

IUPAC3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol
SMILESOCCOCCOCCOC(CO)C(O)CO
InChIInChI=1S/C10H22O7/c11-1-2-15-3-4-16-5-6-17-10(8-13)9(14)7-12/h9-14H,1-8H2
InChIKeyQGQGZGNEUZLKMN-UHFFFAOYSA-N
MW254.28 g/mol
LogP-2.26
Rot. Bonds12

About 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol

3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol (PubChem CID 22358954) has the molecular formula C10H22O7 and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol.

Molecular Properties

Compound Name3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol
PubChem CID22358954
Molecular FormulaC10H22O7
Molecular Weight254.28 g/mol
Exact Mass254.14
IUPAC Name3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol
SMILESOCCOCCOCCOC(CO)C(O)CO
InChIInChI=1S/C10H22O7/c11-1-2-15-3-4-16-5-6-17-10(8-13)9(14)7-12/h9-14H,1-8H2
InChIKeyQGQGZGNEUZLKMN-UHFFFAOYSA-N
XLogP-2.26
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 5-2.26
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]-4-(2-hydroxypropoxy)pentane-1,3-diol
CID 88771519
5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol
CID 86156615
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141
2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol
CID 91218180
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol
CID 178070711
2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol
CID 87592876
1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol
CID 20813416
2-[2-[2-[2-(3-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]ethanol
CID 139963056
2-[2-[1,2-bis(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 174784846

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol?
The IUPAC name of 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol (CID 22358954) is 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol.
What is the SMILES notation for 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol?
The canonical SMILES for 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol is OCCOCCOCCOC(CO)C(O)CO.
What is the InChIKey of 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol?
The InChIKey is QGQGZGNEUZLKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O7/c11-1-2-15-3-4-16-5-6-17-10(8-13)9(14)7-12/h9-14H,1-8H2.
What are the key properties of 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol?
3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol has a molecular weight of 254.28 g/mol, XLogP of -2.26, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol is sourced from PubChem (CID 22358954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).