1-(2,3-diazidopropoxy)dodecane

C15H30N6O — CID 167465036

IUPAC1-(2,3-diazidopropoxy)dodecane
SMILESCCCCCCCCCCCCOCC(CN=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C15H30N6O/c1-2-3-4-5-6-7-8-9-10-11-12-22-14-15(19-21-17)13-18-20-16/h15H,2-14H2,1H3
InChIKeyUDYNKGCYBSFIJA-UHFFFAOYSA-N
MW310.45 g/mol
LogP5.91
Rot. Bonds16

About 1-(2,3-diazidopropoxy)dodecane

1-(2,3-diazidopropoxy)dodecane (PubChem CID 167465036) has the molecular formula C15H30N6O and a molecular weight of 310.45 g/mol. Its IUPAC name is 1-(2,3-diazidopropoxy)dodecane.

Molecular Properties

Compound Name1-(2,3-diazidopropoxy)dodecane
PubChem CID167465036
Molecular FormulaC15H30N6O
Molecular Weight310.45 g/mol
Exact Mass310.25
IUPAC Name1-(2,3-diazidopropoxy)dodecane
SMILESCCCCCCCCCCCCOCC(CN=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C15H30N6O/c1-2-3-4-5-6-7-8-9-10-11-12-22-14-15(19-21-17)13-18-20-16/h15H,2-14H2,1H3
InChIKeyUDYNKGCYBSFIJA-UHFFFAOYSA-N
XLogP5.91
TPSA106.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane
CID 171471401
(2S)-1-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
CID 59087828
CID 59087828
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
1-(2-hexoxypropoxy)hexane
CID 71353992
1-azidohexadecane
CID 11230945
1-azidotriacontane
CID 71752669
1-(2-ethylbutoxy)decane
CID 22002893
1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diazidopropoxy)dodecane?
The IUPAC name of 1-(2,3-diazidopropoxy)dodecane (CID 167465036) is 1-(2,3-diazidopropoxy)dodecane.
What is the SMILES notation for 1-(2,3-diazidopropoxy)dodecane?
The canonical SMILES for 1-(2,3-diazidopropoxy)dodecane is CCCCCCCCCCCCOCC(CN=[N+]=[N-])N=[N+]=[N-].
What is the InChIKey of 1-(2,3-diazidopropoxy)dodecane?
The InChIKey is UDYNKGCYBSFIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6O/c1-2-3-4-5-6-7-8-9-10-11-12-22-14-15(19-21-17)13-18-20-16/h15H,2-14H2,1H3.
What are the key properties of 1-(2,3-diazidopropoxy)dodecane?
1-(2,3-diazidopropoxy)dodecane has a molecular weight of 310.45 g/mol, XLogP of 5.91, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diazidopropoxy)dodecane is sourced from PubChem (CID 167465036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).