(4S)-4-azidoundecane

C11H23N3 — CID 58283831

IUPAC(4S)-4-azidoundecane
SMILESCCCCCCC[C@H](CCC)N=[N+]=[N-]
InChIInChI=1S/C11H23N3/c1-3-5-6-7-8-10-11(9-4-2)13-14-12/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyLQZVWZLQOYYOMS-NSHDSACASA-N
MW197.33 g/mol
LogP4.83
Rot. Bonds9

About (4S)-4-azidoundecane

(4S)-4-azidoundecane (PubChem CID 58283831) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (4S)-4-azidoundecane.

Molecular Properties

Compound Name(4S)-4-azidoundecane
PubChem CID58283831
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(4S)-4-azidoundecane
SMILESCCCCCCC[C@H](CCC)N=[N+]=[N-]
InChIInChI=1S/C11H23N3/c1-3-5-6-7-8-10-11(9-4-2)13-14-12/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyLQZVWZLQOYYOMS-NSHDSACASA-N
XLogP4.83
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-azidoundecane?
The IUPAC name of (4S)-4-azidoundecane (CID 58283831) is (4S)-4-azidoundecane.
What is the SMILES notation for (4S)-4-azidoundecane?
The canonical SMILES for (4S)-4-azidoundecane is CCCCCCC[C@H](CCC)N=[N+]=[N-].
What is the InChIKey of (4S)-4-azidoundecane?
The InChIKey is LQZVWZLQOYYOMS-NSHDSACASA-N. The full InChI is InChI=1S/C11H23N3/c1-3-5-6-7-8-10-11(9-4-2)13-14-12/h11H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (4S)-4-azidoundecane?
(4S)-4-azidoundecane has a molecular weight of 197.33 g/mol, XLogP of 4.83, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-azidoundecane is sourced from PubChem (CID 58283831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).