methanol;2-methoxy-6-methyloxane-4-carbonyl azide

C9H17N3O4 — CID 142065024

IUPACmethanol;2-methoxy-6-methyloxane-4-carbonyl azide
SMILESCO.COC1CC(C(=O)N=[N+]=[N-])CC(C)O1
InChIInChI=1S/C8H13N3O3.CH4O/c1-5-3-6(8(12)10-11-9)4-7(13-2)14-5;1-2/h5-7H,3-4H2,1-2H3;2H,1H3
InChIKeyMJXYQYHNDCIOCS-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.22
Rot. Bonds2

About methanol;2-methoxy-6-methyloxane-4-carbonyl azide

methanol;2-methoxy-6-methyloxane-4-carbonyl azide (PubChem CID 142065024) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is methanol;2-methoxy-6-methyloxane-4-carbonyl azide.

Molecular Properties

Compound Namemethanol;2-methoxy-6-methyloxane-4-carbonyl azide
PubChem CID142065024
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Namemethanol;2-methoxy-6-methyloxane-4-carbonyl azide
SMILESCO.COC1CC(C(=O)N=[N+]=[N-])CC(C)O1
InChIInChI=1S/C8H13N3O3.CH4O/c1-5-3-6(8(12)10-11-9)4-7(13-2)14-5;1-2/h5-7H,3-4H2,1-2H3;2H,1H3
InChIKeyMJXYQYHNDCIOCS-UHFFFAOYSA-N
XLogP1.22
TPSA104.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
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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Related Compounds

cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide
CID 13108219
ethane;spiro[2.5]octane-6-carbonyl azide
CID 153389473
N,2-dimethoxy-6-methyloxan-4-amine
CID 123245320
ethane;2-methoxy-N,N,6-trimethyloxan-4-amine
CID 143454744
methanol;2-methoxy-6-methyloxane
CID 143625427
[4-acetamido-2-(azidomethyl)-6-methoxyoxan-3-yl] acetate
CID 5203184
1-[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]oxy-3-[6-[[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]oxycarbamoylamino]hexyl]urea
CID 158859159
(6-methoxy-2,4-dimethyloxan-3-yl) acetate
CID 20577444
(5R)-2-methoxy-5-methyloxolane
CID 70228275
(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
CID 130909200
5-methoxy-2-methyloxolan-3-amine
CID 163994899
methyl (2R,4R)-4-methyloxetane-2-carboxylate
CID 77068268

Frequently Asked Questions

What is the IUPAC name of methanol;2-methoxy-6-methyloxane-4-carbonyl azide?
The IUPAC name of methanol;2-methoxy-6-methyloxane-4-carbonyl azide (CID 142065024) is methanol;2-methoxy-6-methyloxane-4-carbonyl azide.
What is the SMILES notation for methanol;2-methoxy-6-methyloxane-4-carbonyl azide?
The canonical SMILES for methanol;2-methoxy-6-methyloxane-4-carbonyl azide is CO.COC1CC(C(=O)N=[N+]=[N-])CC(C)O1.
What is the InChIKey of methanol;2-methoxy-6-methyloxane-4-carbonyl azide?
The InChIKey is MJXYQYHNDCIOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3.CH4O/c1-5-3-6(8(12)10-11-9)4-7(13-2)14-5;1-2/h5-7H,3-4H2,1-2H3;2H,1H3.
What are the key properties of methanol;2-methoxy-6-methyloxane-4-carbonyl azide?
methanol;2-methoxy-6-methyloxane-4-carbonyl azide has a molecular weight of 231.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methoxy-6-methyloxane-4-carbonyl azide is sourced from PubChem (CID 142065024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).