ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol

C13H28O6 — CID 146198033

IUPACethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol
SMILESC(OCC1CO1)C1CO1.CC(O)CO.CCOCC
InChIInChI=1S/C6H10O3.C4H10O.C3H8O2/c1(5-3-8-5)7-2-6-4-9-6;1-3-5-4-2;1-3(5)2-4/h5-6H,1-4H2;3-4H2,1-2H3;3-5H,2H2,1H3
InChIKeyRHLSANNVKDFLCH-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.20
Rot. Bonds7

About ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol

ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol (PubChem CID 146198033) has the molecular formula C13H28O6 and a molecular weight of 280.36 g/mol. Its IUPAC name is ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol.

Molecular Properties

Compound Nameethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol
PubChem CID146198033
Molecular FormulaC13H28O6
Molecular Weight280.36 g/mol
Exact Mass280.19
IUPAC Nameethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol
SMILESC(OCC1CO1)C1CO1.CC(O)CO.CCOCC
InChIInChI=1S/C6H10O3.C4H10O.C3H8O2/c1(5-3-8-5)7-2-6-4-9-6;1-3-5-4-2;1-3(5)2-4/h5-6H,1-4H2;3-4H2,1-2H3;3-5H,2H2,1H3
InChIKeyRHLSANNVKDFLCH-UHFFFAOYSA-N
XLogP0.20
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 23284067
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
ethene;ethoxyethane;propane-1,2-diol
CID 87065647
ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 135339306
1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174766123
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 57370814
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-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
diethoxy(dimethyl)silane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158655964

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol?
The IUPAC name of ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol (CID 146198033) is ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol.
What is the SMILES notation for ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol?
The canonical SMILES for ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol is C(OCC1CO1)C1CO1.CC(O)CO.CCOCC.
What is the InChIKey of ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol?
The InChIKey is RHLSANNVKDFLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C4H10O.C3H8O2/c1(5-3-8-5)7-2-6-4-9-6;1-3-5-4-2;1-3(5)2-4/h5-6H,1-4H2;3-4H2,1-2H3;3-5H,2H2,1H3.
What are the key properties of ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol?
ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol has a molecular weight of 280.36 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol is sourced from PubChem (CID 146198033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).