(2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane

C8H15N3O — CID 58834030

IUPAC(2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane
SMILESCC[C@H]1OC(C)C(N=[N+]=[N-])[C@H]1C
InChIInChI=1S/C8H15N3O/c1-4-7-5(2)8(10-11-9)6(3)12-7/h5-8H,4H2,1-3H3/t5-,6?,7+,8?/m0/s1
InChIKeyOQWTUTZKYDSZRQ-AEMDVCDZSA-N
MW169.23 g/mol
LogP2.50
Rot. Bonds2

About (2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane

(2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane (PubChem CID 58834030) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane.

Molecular Properties

Compound Name(2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane
PubChem CID58834030
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane
SMILESCC[C@H]1OC(C)C(N=[N+]=[N-])[C@H]1C
InChIInChI=1S/C8H15N3O/c1-4-7-5(2)8(10-11-9)6(3)12-7/h5-8H,4H2,1-3H3/t5-,6?,7+,8?/m0/s1
InChIKeyOQWTUTZKYDSZRQ-AEMDVCDZSA-N
XLogP2.50
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze (2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane?
The IUPAC name of (2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane (CID 58834030) is (2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane.
What is the SMILES notation for (2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane?
The canonical SMILES for (2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane is CC[C@H]1OC(C)C(N=[N+]=[N-])[C@H]1C.
What is the InChIKey of (2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane?
The InChIKey is OQWTUTZKYDSZRQ-AEMDVCDZSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-7-5(2)8(10-11-9)6(3)12-7/h5-8H,4H2,1-3H3/t5-,6?,7+,8?/m0/s1.
What are the key properties of (2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane?
(2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane has a molecular weight of 169.23 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane is sourced from PubChem (CID 58834030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).