3,5-bis(2-methoxyethoxy)hexanoyl azide

C12H23N3O5 — CID 177091074

IUPAC3,5-bis(2-methoxyethoxy)hexanoyl azide
SMILESCOCCOC(C)CC(CC(=O)N=[N+]=[N-])OCCOC
InChIInChI=1S/C12H23N3O5/c1-10(19-6-4-17-2)8-11(20-7-5-18-3)9-12(16)14-15-13/h10-11H,4-9H2,1-3H3
InChIKeyGIWCGJPPPNKPCD-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.69
Rot. Bonds12

About 3,5-bis(2-methoxyethoxy)hexanoyl azide

3,5-bis(2-methoxyethoxy)hexanoyl azide (PubChem CID 177091074) has the molecular formula C12H23N3O5 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3,5-bis(2-methoxyethoxy)hexanoyl azide.

Molecular Properties

Compound Name3,5-bis(2-methoxyethoxy)hexanoyl azide
PubChem CID177091074
Molecular FormulaC12H23N3O5
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC Name3,5-bis(2-methoxyethoxy)hexanoyl azide
SMILESCOCCOC(C)CC(CC(=O)N=[N+]=[N-])OCCOC
InChIInChI=1S/C12H23N3O5/c1-10(19-6-4-17-2)8-11(20-7-5-18-3)9-12(16)14-15-13/h10-11H,4-9H2,1-3H3
InChIKeyGIWCGJPPPNKPCD-UHFFFAOYSA-N
XLogP1.69
TPSA102.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

3,5-bis(2-methoxyethoxy)hexanamide
CID 177091075
2-[2-(2-methoxyethoxy)ethoxy]acetyl azide
CID 71406547
4-(2-methoxyethoxy)pentan-2-ol
CID 64721506
4-(2-methoxyethoxy)pentan-2-one
CID 64697954
2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate
CID 23599748
2-methoxy-4-(2-methoxyethoxy)hexane
CID 118459272
(2R)-2-(2-methoxyethoxy)propan-1-ol
CID 118089106
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 146502180
ethane;2-(2-methoxyethoxy)butane
CID 168922397
4-(2-methoxyethoxy)pentanoic acid
CID 62215225
3-[1-(2-methoxyethoxy)propoxy]pentanedioyl dichloride
CID 91117120
3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid
CID 139938687

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methoxyethoxy)hexanoyl azide?
The IUPAC name of 3,5-bis(2-methoxyethoxy)hexanoyl azide (CID 177091074) is 3,5-bis(2-methoxyethoxy)hexanoyl azide.
What is the SMILES notation for 3,5-bis(2-methoxyethoxy)hexanoyl azide?
The canonical SMILES for 3,5-bis(2-methoxyethoxy)hexanoyl azide is COCCOC(C)CC(CC(=O)N=[N+]=[N-])OCCOC.
What is the InChIKey of 3,5-bis(2-methoxyethoxy)hexanoyl azide?
The InChIKey is GIWCGJPPPNKPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5/c1-10(19-6-4-17-2)8-11(20-7-5-18-3)9-12(16)14-15-13/h10-11H,4-9H2,1-3H3.
What are the key properties of 3,5-bis(2-methoxyethoxy)hexanoyl azide?
3,5-bis(2-methoxyethoxy)hexanoyl azide has a molecular weight of 289.33 g/mol, XLogP of 1.69, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methoxyethoxy)hexanoyl azide is sourced from PubChem (CID 177091074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).