ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane

C12H26O7 — CID 135339306

IUPACethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCO.OCCOCCO
InChIInChI=1S/C6H10O3.C4H10O3.C2H6O/c1(5-3-8-5)7-2-6-4-9-6;5-1-3-7-4-2-6;1-2-3/h5-6H,1-4H2;5-6H,1-4H2;3H,2H2,1H3
InChIKeyKBQMZULVMNINPS-UHFFFAOYSA-N
MW282.33 g/mol
LogP-1.21
Rot. Bonds8

About ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane

ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 135339306) has the molecular formula C12H26O7 and a molecular weight of 282.33 g/mol. Its IUPAC name is ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Nameethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID135339306
Molecular FormulaC12H26O7
Molecular Weight282.33 g/mol
Exact Mass282.17
IUPAC Nameethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCO.OCCOCCO
InChIInChI=1S/C6H10O3.C4H10O3.C2H6O/c1(5-3-8-5)7-2-6-4-9-6;5-1-3-7-4-2-6;1-2-3/h5-6H,1-4H2;5-6H,1-4H2;3H,2H2,1H3
InChIKeyKBQMZULVMNINPS-UHFFFAOYSA-N
XLogP-1.21
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
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
2-(2-hydroxyethylperoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174579624
cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374
2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 22726121
hexane;hexane-1,6-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174849924
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499
2-[2-(oxiran-2-yl)ethoxy]ethanol
CID 20723947
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)
CID 173030236
carbanide;ethanol;2-(propoxymethyl)oxirane;zirconium(2+)
CID 87744563

Frequently Asked Questions

What is the IUPAC name of ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 135339306) is ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.CCO.OCCOCCO.
What is the InChIKey of ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is KBQMZULVMNINPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C4H10O3.C2H6O/c1(5-3-8-5)7-2-6-4-9-6;5-1-3-7-4-2-6;1-2-3/h5-6H,1-4H2;5-6H,1-4H2;3H,2H2,1H3.
What are the key properties of ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 282.33 g/mol, XLogP of -1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 135339306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).