2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)

C12H26O9 — CID 23284067

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)
SMILESC(OCC1CO1)C1CO1.OCC(O)CO.OCC(O)CO
InChIInChI=1S/C6H10O3.2C3H8O3/c1(5-3-8-5)7-2-6-4-9-6;2*4-1-3(6)2-5/h5-6H,1-4H2;2*3-6H,1-2H2
InChIKeyIOHUXCRCWKUAGJ-UHFFFAOYSA-N
MW314.33 g/mol
LogP-3.54
Rot. Bonds8

About 2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)

2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol) (PubChem CID 23284067) has the molecular formula C12H26O9 and a molecular weight of 314.33 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol).

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)
PubChem CID23284067
Molecular FormulaC12H26O9
Molecular Weight314.33 g/mol
Exact Mass314.16
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)
SMILESC(OCC1CO1)C1CO1.OCC(O)CO.OCC(O)CO
InChIInChI=1S/C6H10O3.2C3H8O3/c1(5-3-8-5)7-2-6-4-9-6;2*4-1-3(6)2-5/h5-6H,1-4H2;2*3-6H,1-2H2
InChIKeyIOHUXCRCWKUAGJ-UHFFFAOYSA-N
XLogP-3.54
TPSA155.67 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.33
LogP ≤ 5-3.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid
CID 87308425
2-(octadecoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 19926009
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol
CID 146198033
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
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-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87212352
2-(5-methylheptoxymethyl)oxirane;propane-1,2,3-triol
CID 174940930
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499
(Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87871261
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol) (CID 23284067) is 2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol).
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol) is C(OCC1CO1)C1CO1.OCC(O)CO.OCC(O)CO.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)?
The InChIKey is IOHUXCRCWKUAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.2C3H8O3/c1(5-3-8-5)7-2-6-4-9-6;2*4-1-3(6)2-5/h5-6H,1-4H2;2*3-6H,1-2H2.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)?
2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol) has a molecular weight of 314.33 g/mol, XLogP of -3.54, 8 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol) is sourced from PubChem (CID 23284067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).