2-(oxiran-2-ylmethoxymethyl)oxirane diazide

C6H10N6O3-2 — CID 175700488

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane diazide
SMILESC(OCC1CO1)C1CO1.[N-]=[N+]=[N-].[N-]=[N+]=[N-]
InChIInChI=1S/C6H10O3.2N3/c1(5-3-8-5)7-2-6-4-9-6;2*1-3-2/h5-6H,1-4H2;;/q;2*-1
InChIKeyNUOMERKBGINCKL-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.53
Rot. Bonds4

About 2-(oxiran-2-ylmethoxymethyl)oxirane diazide

2-(oxiran-2-ylmethoxymethyl)oxirane diazide (PubChem CID 175700488) has the molecular formula C6H10N6O3-2 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane diazide.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane diazide
PubChem CID175700488
Molecular FormulaC6H10N6O3-2
Molecular Weight214.18 g/mol
Exact Mass214.08
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane diazide
SMILESC(OCC1CO1)C1CO1.[N-]=[N+]=[N-].[N-]=[N+]=[N-]
InChIInChI=1S/C6H10O3.2N3/c1(5-3-8-5)7-2-6-4-9-6;2*1-3-2/h5-6H,1-4H2;;/q;2*-1
InChIKeyNUOMERKBGINCKL-UHFFFAOYSA-N
XLogP1.53
TPSA151.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide
CID 87769776
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
(2R)-2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane
CID 88922210
2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene
CID 88761424
2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane diazide?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane diazide (CID 175700488) is 2-(oxiran-2-ylmethoxymethyl)oxirane diazide.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane diazide?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane diazide is C(OCC1CO1)C1CO1.[N-]=[N+]=[N-].[N-]=[N+]=[N-].
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane diazide?
The InChIKey is NUOMERKBGINCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.2N3/c1(5-3-8-5)7-2-6-4-9-6;2*1-3-2/h5-6H,1-4H2;;/q;2*-1.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane diazide?
2-(oxiran-2-ylmethoxymethyl)oxirane diazide has a molecular weight of 214.18 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane diazide is sourced from PubChem (CID 175700488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).