1-(3-azido-4,5-dimethyloxolan-2-yl)ethane-1,2-diol

C8H15N3O3 — CID 59025337

IUPAC1-(3-azido-4,5-dimethyloxolan-2-yl)ethane-1,2-diol
SMILESCC1OC(C(O)CO)C(N=[N+]=[N-])C1C
InChIInChI=1S/C8H15N3O3/c1-4-5(2)14-8(6(13)3-12)7(4)10-11-9/h4-8,12-13H,3H2,1-2H3
InChIKeyCXAFBMQGWKXXKA-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.44
Rot. Bonds3

About 1-(3-azido-4,5-dimethyloxolan-2-yl)ethane-1,2-diol

1-(3-azido-4,5-dimethyloxolan-2-yl)ethane-1,2-diol (PubChem CID 59025337) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(3-azido-4,5-dimethyloxolan-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(3-azido-4,5-dimethyloxolan-2-yl)ethane-1,2-diol
PubChem CID59025337
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name1-(3-azido-4,5-dimethyloxolan-2-yl)ethane-1,2-diol
SMILESCC1OC(C(O)CO)C(N=[N+]=[N-])C1C
InChIInChI=1S/C8H15N3O3/c1-4-5(2)14-8(6(13)3-12)7(4)10-11-9/h4-8,12-13H,3H2,1-2H3
InChIKeyCXAFBMQGWKXXKA-UHFFFAOYSA-N
XLogP0.44
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azido-4,5-dimethyloxolan-2-yl)ethane-1,2-diol?
The IUPAC name of 1-(3-azido-4,5-dimethyloxolan-2-yl)ethane-1,2-diol (CID 59025337) is 1-(3-azido-4,5-dimethyloxolan-2-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(3-azido-4,5-dimethyloxolan-2-yl)ethane-1,2-diol?
The canonical SMILES for 1-(3-azido-4,5-dimethyloxolan-2-yl)ethane-1,2-diol is CC1OC(C(O)CO)C(N=[N+]=[N-])C1C.
What is the InChIKey of 1-(3-azido-4,5-dimethyloxolan-2-yl)ethane-1,2-diol?
The InChIKey is CXAFBMQGWKXXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-4-5(2)14-8(6(13)3-12)7(4)10-11-9/h4-8,12-13H,3H2,1-2H3.
What are the key properties of 1-(3-azido-4,5-dimethyloxolan-2-yl)ethane-1,2-diol?
1-(3-azido-4,5-dimethyloxolan-2-yl)ethane-1,2-diol has a molecular weight of 201.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azido-4,5-dimethyloxolan-2-yl)ethane-1,2-diol is sourced from PubChem (CID 59025337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).