1,4-bis(1-azidobutoxy)benzene

C14H20N6O2 — CID 173492765

IUPAC1,4-bis(1-azidobutoxy)benzene
SMILESCCCC(N=[N+]=[N-])Oc1ccc(OC(CCC)N=[N+]=[N-])cc1
InChIInChI=1S/C14H20N6O2/c1-3-5-13(17-19-15)21-11-7-9-12(10-8-11)22-14(6-4-2)18-20-16/h7-10,13-14H,3-6H2,1-2H3
InChIKeyZCTRZPLEVLDINT-UHFFFAOYSA-N
MW304.35 g/mol
LogP5.32
Rot. Bonds10

About 1,4-bis(1-azidobutoxy)benzene

1,4-bis(1-azidobutoxy)benzene (PubChem CID 173492765) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1,4-bis(1-azidobutoxy)benzene.

Molecular Properties

Compound Name1,4-bis(1-azidobutoxy)benzene
PubChem CID173492765
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name1,4-bis(1-azidobutoxy)benzene
SMILESCCCC(N=[N+]=[N-])Oc1ccc(OC(CCC)N=[N+]=[N-])cc1
InChIInChI=1S/C14H20N6O2/c1-3-5-13(17-19-15)21-11-7-9-12(10-8-11)22-14(6-4-2)18-20-16/h7-10,13-14H,3-6H2,1-2H3
InChIKeyZCTRZPLEVLDINT-UHFFFAOYSA-N
XLogP5.32
TPSA115.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.35
LogP ≤ 55.32
H-Bond Donors ≤ 50
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

4-(1-azidopropoxy)-2-methoxybenzaldehyde
CID 118415192
1-chloro-4-heptan-4-yloxybenzene
CID 142490419
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CID 86658398
1-(azidomethyl)-4-propan-2-yloxybenzene
CID 151785938
1-(4-pentan-2-yloxyphenyl)propan-2-amine
CID 107885477
1-(1-azidoethyl)-4-methoxybenzene
CID 13330258
1-(4-chlorophenoxy)butan-1-ol
CID 23332143
N-[2-(4-methylphenoxy)propyl]pentan-2-amine
CID 55093091
1-azidohexyl 4-methylbenzenesulfonate
CID 170166994
methyl 2-azido-3-(4-methoxyphenyl)propanoate
CID 10444067
N,N-dimethyl-4-pentan-2-yloxyaniline
CID 143580659
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(1-azidobutoxy)benzene?
The IUPAC name of 1,4-bis(1-azidobutoxy)benzene (CID 173492765) is 1,4-bis(1-azidobutoxy)benzene.
What is the SMILES notation for 1,4-bis(1-azidobutoxy)benzene?
The canonical SMILES for 1,4-bis(1-azidobutoxy)benzene is CCCC(N=[N+]=[N-])Oc1ccc(OC(CCC)N=[N+]=[N-])cc1.
What is the InChIKey of 1,4-bis(1-azidobutoxy)benzene?
The InChIKey is ZCTRZPLEVLDINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-3-5-13(17-19-15)21-11-7-9-12(10-8-11)22-14(6-4-2)18-20-16/h7-10,13-14H,3-6H2,1-2H3.
What are the key properties of 1,4-bis(1-azidobutoxy)benzene?
1,4-bis(1-azidobutoxy)benzene has a molecular weight of 304.35 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(1-azidobutoxy)benzene is sourced from PubChem (CID 173492765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).