1-azidooctadecyl formate

C19H37N3O2 — CID 18522841

IUPAC1-azidooctadecyl formate
SMILESCCCCCCCCCCCCCCCCCC(N=[N+]=[N-])OC=O
InChIInChI=1S/C19H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21-22-20)24-18-23/h18-19H,2-17H2,1H3
InChIKeyAXGKXCKGRPKAMY-UHFFFAOYSA-N
MW339.52 g/mol
LogP7.06
Rot. Bonds19

About 1-azidooctadecyl formate

1-azidooctadecyl formate (PubChem CID 18522841) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-azidooctadecyl formate.

Molecular Properties

Compound Name1-azidooctadecyl formate
PubChem CID18522841
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name1-azidooctadecyl formate
SMILESCCCCCCCCCCCCCCCCCC(N=[N+]=[N-])OC=O
InChIInChI=1S/C19H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21-22-20)24-18-23/h18-19H,2-17H2,1H3
InChIKeyAXGKXCKGRPKAMY-UHFFFAOYSA-N
XLogP7.06
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

octadecan-8-yl formate
CID 171797323
hexatriacontan-18-yl formate
CID 144696165
1-aminooctyl formate
CID 174824755
1-hydroxyoctyl formate
CID 54104225
(2R)-2-azidohexadecane
CID 174670947
(2S)-2-azidononane
CID 102115708
6,7-diazidododecane
CID 122603304
3-methylundecan-4-yl formate
CID 23187921
1-ethoxydecan-3-yl formate
CID 173324667
[(10S)-tricos-6-yn-10-yl] formate
CID 101000921
1-azidododecane-1-sulfinic acid
CID 174505373
1-aminopentyl formate
CID 57047704

Frequently Asked Questions

What is the IUPAC name of 1-azidooctadecyl formate?
The IUPAC name of 1-azidooctadecyl formate (CID 18522841) is 1-azidooctadecyl formate.
What is the SMILES notation for 1-azidooctadecyl formate?
The canonical SMILES for 1-azidooctadecyl formate is CCCCCCCCCCCCCCCCCC(N=[N+]=[N-])OC=O.
What is the InChIKey of 1-azidooctadecyl formate?
The InChIKey is AXGKXCKGRPKAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21-22-20)24-18-23/h18-19H,2-17H2,1H3.
What are the key properties of 1-azidooctadecyl formate?
1-azidooctadecyl formate has a molecular weight of 339.52 g/mol, XLogP of 7.06, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidooctadecyl formate is sourced from PubChem (CID 18522841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).