2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol

C15H22O5 — CID 22457219

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol
SMILESC(OCC1CO1)C1CO1.Cc1cc(O)c(C)c(C)c1O
InChIInChI=1S/C9H12O2.C6H10O3/c1-5-4-8(10)6(2)7(3)9(5)11;1(5-3-8-5)7-2-6-4-9-6/h4,10-11H,1-3H3;5-6H,1-4H2
InChIKeyCPDBKMQLZBSYLU-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.82
Rot. Bonds4

About 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol

2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol (PubChem CID 22457219) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol
PubChem CID22457219
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol
SMILESC(OCC1CO1)C1CO1.Cc1cc(O)c(C)c(C)c1O
InChIInChI=1S/C9H12O2.C6H10O3/c1-5-4-8(10)6(2)7(3)9(5)11;1(5-3-8-5)7-2-6-4-9-6/h4,10-11H,1-3H3;5-6H,1-4H2
InChIKeyCPDBKMQLZBSYLU-UHFFFAOYSA-N
XLogP1.82
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol (CID 22457219) is 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol is C(OCC1CO1)C1CO1.Cc1cc(O)c(C)c(C)c1O.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol?
The InChIKey is CPDBKMQLZBSYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C6H10O3/c1-5-4-8(10)6(2)7(3)9(5)11;1(5-3-8-5)7-2-6-4-9-6/h4,10-11H,1-3H3;5-6H,1-4H2.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol?
2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol has a molecular weight of 282.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol is sourced from PubChem (CID 22457219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).