[2-diazo-2-(4-hydroxyoxan-4-yl)ethyl] acetate

C9H14N2O4 — CID 174800467

IUPAC[2-diazo-2-(4-hydroxyoxan-4-yl)ethyl] acetate
SMILESCC(=O)OCC(=[N+]=[N-])C1(O)CCOCC1
InChIInChI=1S/C9H14N2O4/c1-7(12)15-6-8(11-10)9(13)2-4-14-5-3-9/h13H,2-6H2,1H3
InChIKeyATEWNKFGAJYAJB-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.24
Rot. Bonds3

About [2-diazo-2-(4-hydroxyoxan-4-yl)ethyl] acetate

[2-diazo-2-(4-hydroxyoxan-4-yl)ethyl] acetate (PubChem CID 174800467) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is [2-diazo-2-(4-hydroxyoxan-4-yl)ethyl] acetate.

Molecular Properties

Compound Name[2-diazo-2-(4-hydroxyoxan-4-yl)ethyl] acetate
PubChem CID174800467
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name[2-diazo-2-(4-hydroxyoxan-4-yl)ethyl] acetate
SMILESCC(=O)OCC(=[N+]=[N-])C1(O)CCOCC1
InChIInChI=1S/C9H14N2O4/c1-7(12)15-6-8(11-10)9(13)2-4-14-5-3-9/h13H,2-6H2,1H3
InChIKeyATEWNKFGAJYAJB-UHFFFAOYSA-N
XLogP-0.24
TPSA92.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(4-acetyloxyoxan-4-yl)methyl acetate
CID 909733
1,4-dioxane;propyl acetate
CID 175904489
6-oxaspiro[2.5]octan-2-ylmethyl acetate
CID 131042123
(2-morpholin-4-yl-2-oxoethyl) acetate;propanamide
CID 174960121
1-(4-acetyloxan-4-yl)propan-1-one
CID 58816646
1-(4-aminooxan-4-yl)-2-ethoxyethanone
CID 116604519
4-prop-1-en-2-yloxan-4-ol
CID 75356182
[1-[4-(aminomethyl)oxan-4-yl]-2-methylpropan-2-yl] acetate
CID 142374845
dipropyl oxane-4,4-dicarboxylate
CID 69415052
ethyl 2-(4-aminooxan-4-yl)acetate
CID 79002083
2-(4-methyloxan-4-yl)oxyacetamide
CID 152901349
ethyl 2,2-bis(4-methyloxan-4-yl)acetate
CID 175344737

Frequently Asked Questions

What is the IUPAC name of [2-diazo-2-(4-hydroxyoxan-4-yl)ethyl] acetate?
The IUPAC name of [2-diazo-2-(4-hydroxyoxan-4-yl)ethyl] acetate (CID 174800467) is [2-diazo-2-(4-hydroxyoxan-4-yl)ethyl] acetate.
What is the SMILES notation for [2-diazo-2-(4-hydroxyoxan-4-yl)ethyl] acetate?
The canonical SMILES for [2-diazo-2-(4-hydroxyoxan-4-yl)ethyl] acetate is CC(=O)OCC(=[N+]=[N-])C1(O)CCOCC1.
What is the InChIKey of [2-diazo-2-(4-hydroxyoxan-4-yl)ethyl] acetate?
The InChIKey is ATEWNKFGAJYAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-7(12)15-6-8(11-10)9(13)2-4-14-5-3-9/h13H,2-6H2,1H3.
What are the key properties of [2-diazo-2-(4-hydroxyoxan-4-yl)ethyl] acetate?
[2-diazo-2-(4-hydroxyoxan-4-yl)ethyl] acetate has a molecular weight of 214.22 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-diazo-2-(4-hydroxyoxan-4-yl)ethyl] acetate is sourced from PubChem (CID 174800467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).