1,5-bis(2-azidoethoxy)pentane

C9H18N6O2 — CID 130260836

IUPAC1,5-bis(2-azidoethoxy)pentane
SMILES[N-]=[N+]=NCCOCCCCCOCCN=[N+]=[N-]
InChIInChI=1S/C9H18N6O2/c10-14-12-4-8-16-6-2-1-3-7-17-9-5-13-15-11/h1-9H2
InChIKeyGEGLRHYDKVADDF-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.81
Rot. Bonds12

About 1,5-bis(2-azidoethoxy)pentane

1,5-bis(2-azidoethoxy)pentane (PubChem CID 130260836) has the molecular formula C9H18N6O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1,5-bis(2-azidoethoxy)pentane.

Molecular Properties

Compound Name1,5-bis(2-azidoethoxy)pentane
PubChem CID130260836
Molecular FormulaC9H18N6O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name1,5-bis(2-azidoethoxy)pentane
SMILES[N-]=[N+]=NCCOCCCCCOCCN=[N+]=[N-]
InChIInChI=1S/C9H18N6O2/c10-14-12-4-8-16-6-2-1-3-7-17-9-5-13-15-11/h1-9H2
InChIKeyGEGLRHYDKVADDF-UHFFFAOYSA-N
XLogP2.81
TPSA115.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-azido-3-(2-azidoethoxy)propane
CID 161084189
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 165429946
1-azido-2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796295
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane
CID 159454812
1-(2-azidoethoxy)-4-methylpentane
CID 130288053
1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane
CID 171471401
1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane
CID 140930764
4-(4-azidobutoxy)butan-1-amine
CID 151331524
1-azido-2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 170117049
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 10940805
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 75535108

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-azidoethoxy)pentane?
The IUPAC name of 1,5-bis(2-azidoethoxy)pentane (CID 130260836) is 1,5-bis(2-azidoethoxy)pentane.
What is the SMILES notation for 1,5-bis(2-azidoethoxy)pentane?
The canonical SMILES for 1,5-bis(2-azidoethoxy)pentane is [N-]=[N+]=NCCOCCCCCOCCN=[N+]=[N-].
What is the InChIKey of 1,5-bis(2-azidoethoxy)pentane?
The InChIKey is GEGLRHYDKVADDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2/c10-14-12-4-8-16-6-2-1-3-7-17-9-5-13-15-11/h1-9H2.
What are the key properties of 1,5-bis(2-azidoethoxy)pentane?
1,5-bis(2-azidoethoxy)pentane has a molecular weight of 242.28 g/mol, XLogP of 2.81, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-azidoethoxy)pentane is sourced from PubChem (CID 130260836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).