(3R,4R)-4-azido-2,3-dimethyloxane

C7H13N3O — CID 159925042

IUPAC(3R,4R)-4-azido-2,3-dimethyloxane
SMILESCC1OCC[C@@H](N=[N+]=[N-])[C@H]1C
InChIInChI=1S/C7H13N3O/c1-5-6(2)11-4-3-7(5)9-10-8/h5-7H,3-4H2,1-2H3/t5-,6?,7+/m0/s1
InChIKeyJWXVZAIHFDLVBP-REJBHVJUSA-N
MW155.20 g/mol
LogP2.11
Rot. Bonds1

About (3R,4R)-4-azido-2,3-dimethyloxane

(3R,4R)-4-azido-2,3-dimethyloxane (PubChem CID 159925042) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (3R,4R)-4-azido-2,3-dimethyloxane.

Molecular Properties

Compound Name(3R,4R)-4-azido-2,3-dimethyloxane
PubChem CID159925042
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(3R,4R)-4-azido-2,3-dimethyloxane
SMILESCC1OCC[C@@H](N=[N+]=[N-])[C@H]1C
InChIInChI=1S/C7H13N3O/c1-5-6(2)11-4-3-7(5)9-10-8/h5-7H,3-4H2,1-2H3/t5-,6?,7+/m0/s1
InChIKeyJWXVZAIHFDLVBP-REJBHVJUSA-N
XLogP2.11
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 52.11
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'}

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Related Compounds

(3S)-4-azido-3-methyloxane
CID 139456410
(3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 133139298
(3S,3aR,6R,6aR)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90042500
methanol;(2S,3R)-2,3,4-trimethyloxane
CID 145399685
(2S)-2-azido-3-methyloxirane
CID 141301060
(4S,5S)-5-azido-4,6-dimethyloxan-3-ol
CID 157349847
(4R,5R,6S)-4-azido-6-methyloxane-2,5-diol
CID 16679756
3-(2-azidoethylsulfonyl)-2-methyloxolane
CID 107754203
3-azido-2-(azidomethyl)oxane
CID 141004625
2,5-diazidocyclopentan-1-ol
CID 85255446
N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine
CID 82749499
3-(3-azidopropylsulfonyl)-2-methyloxolane
CID 107754204

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-azido-2,3-dimethyloxane?
The IUPAC name of (3R,4R)-4-azido-2,3-dimethyloxane (CID 159925042) is (3R,4R)-4-azido-2,3-dimethyloxane.
What is the SMILES notation for (3R,4R)-4-azido-2,3-dimethyloxane?
The canonical SMILES for (3R,4R)-4-azido-2,3-dimethyloxane is CC1OCC[C@@H](N=[N+]=[N-])[C@H]1C.
What is the InChIKey of (3R,4R)-4-azido-2,3-dimethyloxane?
The InChIKey is JWXVZAIHFDLVBP-REJBHVJUSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5-6(2)11-4-3-7(5)9-10-8/h5-7H,3-4H2,1-2H3/t5-,6?,7+/m0/s1.
What are the key properties of (3R,4R)-4-azido-2,3-dimethyloxane?
(3R,4R)-4-azido-2,3-dimethyloxane has a molecular weight of 155.20 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-azido-2,3-dimethyloxane is sourced from PubChem (CID 159925042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).