[(Z)-tridec-9-enyl] nitrate

C13H25NO3 — CID 10354435

IUPAC[(Z)-tridec-9-enyl] nitrate
SMILESCCC/C=C\CCCCCCCCO[N+](=O)[O-]
InChIInChI=1S/C13H25NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14(15)16/h4-5H,2-3,6-13H2,1H3/b5-4-
InChIKeyQFVGKUZTSMWDMJ-PLNGDYQASA-N
MW243.35 g/mol
LogP4.28
Rot. Bonds12

About [(Z)-tridec-9-enyl] nitrate

[(Z)-tridec-9-enyl] nitrate (PubChem CID 10354435) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [(Z)-tridec-9-enyl] nitrate.

Molecular Properties

Compound Name[(Z)-tridec-9-enyl] nitrate
PubChem CID10354435
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name[(Z)-tridec-9-enyl] nitrate
SMILESCCC/C=C\CCCCCCCCO[N+](=O)[O-]
InChIInChI=1S/C13H25NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14(15)16/h4-5H,2-3,6-13H2,1H3/b5-4-
InChIKeyQFVGKUZTSMWDMJ-PLNGDYQASA-N
XLogP4.28
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-tridec-9-enyl] nitrate?
The IUPAC name of [(Z)-tridec-9-enyl] nitrate (CID 10354435) is [(Z)-tridec-9-enyl] nitrate.
What is the SMILES notation for [(Z)-tridec-9-enyl] nitrate?
The canonical SMILES for [(Z)-tridec-9-enyl] nitrate is CCC/C=C\CCCCCCCCO[N+](=O)[O-].
What is the InChIKey of [(Z)-tridec-9-enyl] nitrate?
The InChIKey is QFVGKUZTSMWDMJ-PLNGDYQASA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14(15)16/h4-5H,2-3,6-13H2,1H3/b5-4-.
What are the key properties of [(Z)-tridec-9-enyl] nitrate?
[(Z)-tridec-9-enyl] nitrate has a molecular weight of 243.35 g/mol, XLogP of 4.28, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-tridec-9-enyl] nitrate is sourced from PubChem (CID 10354435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).