2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane

C11H22O7 — CID 22726121

IUPAC2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.COC(O)COCCO
InChIInChI=1S/C6H10O3.C5H12O4/c1(5-3-8-5)7-2-6-4-9-6;1-8-5(7)4-9-3-2-6/h5-6H,1-4H2;5-7H,2-4H2,1H3
InChIKeyCKXNWRGAAITWHP-UHFFFAOYSA-N
MW266.29 g/mol
LogP-1.24
Rot. Bonds9

About 2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane

2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 22726121) has the molecular formula C11H22O7 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID22726121
Molecular FormulaC11H22O7
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC Name2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.COC(O)COCCO
InChIInChI=1S/C6H10O3.C5H12O4/c1(5-3-8-5)7-2-6-4-9-6;1-8-5(7)4-9-3-2-6/h5-6H,1-4H2;5-7H,2-4H2,1H3
InChIKeyCKXNWRGAAITWHP-UHFFFAOYSA-N
XLogP-1.24
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

azane;2-(2-hydroxyethoxy)-1-methoxyethanol
CID 90384460
ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 135339306
2-(2-hydroxyethylperoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174579624
2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid
CID 88623730
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-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 23284067
1-methoxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propan-2-ol;2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane
CID 162098827
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374
cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 22726121) is 2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.COC(O)COCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is CKXNWRGAAITWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C5H12O4/c1(5-3-8-5)7-2-6-4-9-6;1-8-5(7)4-9-3-2-6/h5-6H,1-4H2;5-7H,2-4H2,1H3.
What are the key properties of 2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 266.29 g/mol, XLogP of -1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 22726121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).