5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione

C11H18O7 — CID 19986963

IUPAC5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione
SMILESO=C(CC1CO1)C(=O)C(CO)OCCOCCO
InChIInChI=1S/C11H18O7/c12-1-2-16-3-4-17-10(6-13)11(15)9(14)5-8-7-18-8/h8,10,12-13H,1-7H2
InChIKeyOMHCPBIERWCGQX-UHFFFAOYSA-N
MW262.26 g/mol
LogP-1.70
Rot. Bonds11

About 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione

5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione (PubChem CID 19986963) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione.

Molecular Properties

Compound Name5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione
PubChem CID19986963
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione
SMILESO=C(CC1CO1)C(=O)C(CO)OCCOCCO
InChIInChI=1S/C11H18O7/c12-1-2-16-3-4-17-10(6-13)11(15)9(14)5-8-7-18-8/h8,10,12-13H,1-7H2
InChIKeyOMHCPBIERWCGQX-UHFFFAOYSA-N
XLogP-1.70
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154070356
2-[2-(oxiran-2-yl)ethoxy]ethanol
CID 20723947
3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol
CID 18989101
3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal
CID 88526857
ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 135339306
2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol
CID 139962593
2-(2-hydroxyethylperoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174579624
2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid
CID 158133207
2-[2-(2-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol
CID 66745386
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-(oxetan-2-yl)ethanol
CID 66746025
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)hexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59991511
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 66952472

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione?
The IUPAC name of 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione (CID 19986963) is 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione.
What is the SMILES notation for 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione?
The canonical SMILES for 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione is O=C(CC1CO1)C(=O)C(CO)OCCOCCO.
What is the InChIKey of 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione?
The InChIKey is OMHCPBIERWCGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O7/c12-1-2-16-3-4-17-10(6-13)11(15)9(14)5-8-7-18-8/h8,10,12-13H,1-7H2.
What are the key properties of 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione?
5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione has a molecular weight of 262.26 g/mol, XLogP of -1.70, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione is sourced from PubChem (CID 19986963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).