3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal

C11H18O7 — CID 88526857

IUPAC3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal
SMILESO=CC(=O)C(OCCOCCOCCO)C1CO1
InChIInChI=1S/C11H18O7/c12-1-2-15-3-4-16-5-6-17-11(9(14)7-13)10-8-18-10/h7,10-12H,1-6,8H2
InChIKeyHQVUQTLHIFDPEK-UHFFFAOYSA-N
MW262.26 g/mol
LogP-1.44
Rot. Bonds12

About 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal

3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal (PubChem CID 88526857) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal.

Molecular Properties

Compound Name3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal
PubChem CID88526857
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal
SMILESO=CC(=O)C(OCCOCCOCCO)C1CO1
InChIInChI=1S/C11H18O7/c12-1-2-15-3-4-16-5-6-17-11(9(14)7-13)10-8-18-10/h7,10-12H,1-6,8H2
InChIKeyHQVUQTLHIFDPEK-UHFFFAOYSA-N
XLogP-1.44
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol
CID 139962593
5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione
CID 19986963
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
3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol
CID 18989101
2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde
CID 175378786
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141
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-[1-(oxiran-2-yl)prop-2-enoxy]ethanol
CID 87755062
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal?
The IUPAC name of 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal (CID 88526857) is 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal.
What is the SMILES notation for 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal?
The canonical SMILES for 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal is O=CC(=O)C(OCCOCCOCCO)C1CO1.
What is the InChIKey of 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal?
The InChIKey is HQVUQTLHIFDPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O7/c12-1-2-15-3-4-16-5-6-17-11(9(14)7-13)10-8-18-10/h7,10-12H,1-6,8H2.
What are the key properties of 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal?
3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal has a molecular weight of 262.26 g/mol, XLogP of -1.44, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal is sourced from PubChem (CID 88526857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).