(5R)-5-azidooctanal

C8H15N3O — CID 10352103

IUPAC(5R)-5-azidooctanal
SMILESCCC[C@H](CCCC=O)N=[N+]=[N-]
InChIInChI=1S/C8H15N3O/c1-2-5-8(10-11-9)6-3-4-7-12/h7-8H,2-6H2,1H3/t8-/m1/s1
InChIKeyJQQYGNORCMYAEY-MRVPVSSYSA-N
MW169.23 g/mol
LogP2.83
Rot. Bonds7

About (5R)-5-azidooctanal

(5R)-5-azidooctanal (PubChem CID 10352103) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (5R)-5-azidooctanal.

Molecular Properties

Compound Name(5R)-5-azidooctanal
PubChem CID10352103
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(5R)-5-azidooctanal
SMILESCCC[C@H](CCCC=O)N=[N+]=[N-]
InChIInChI=1S/C8H15N3O/c1-2-5-8(10-11-9)6-3-4-7-12/h7-8H,2-6H2,1H3/t8-/m1/s1
InChIKeyJQQYGNORCMYAEY-MRVPVSSYSA-N
XLogP2.83
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-azidooctanal?
The IUPAC name of (5R)-5-azidooctanal (CID 10352103) is (5R)-5-azidooctanal.
What is the SMILES notation for (5R)-5-azidooctanal?
The canonical SMILES for (5R)-5-azidooctanal is CCC[C@H](CCCC=O)N=[N+]=[N-].
What is the InChIKey of (5R)-5-azidooctanal?
The InChIKey is JQQYGNORCMYAEY-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-5-8(10-11-9)6-3-4-7-12/h7-8H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of (5R)-5-azidooctanal?
(5R)-5-azidooctanal has a molecular weight of 169.23 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-azidooctanal is sourced from PubChem (CID 10352103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).