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

C14H27NO3 — CID 10400241

IUPAC[(Z)-tetradec-9-enyl] nitrate
SMILESCCCC/C=C\CCCCCCCCO[N+](=O)[O-]
InChIInChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17/h5-6H,2-4,7-14H2,1H3/b6-5-
InChIKeyGOXHVGMEFOPASR-WAYWQWQTSA-N
MW257.37 g/mol
LogP4.67
Rot. Bonds13

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

[(Z)-tetradec-9-enyl] nitrate (PubChem CID 10400241) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is [(Z)-tetradec-9-enyl] nitrate.

Molecular Properties

Compound Name[(Z)-tetradec-9-enyl] nitrate
PubChem CID10400241
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name[(Z)-tetradec-9-enyl] nitrate
SMILESCCCC/C=C\CCCCCCCCO[N+](=O)[O-]
InChIInChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17/h5-6H,2-4,7-14H2,1H3/b6-5-
InChIKeyGOXHVGMEFOPASR-WAYWQWQTSA-N
XLogP4.67
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 54.67
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)-tetradec-9-enyl] nitrate?
The IUPAC name of [(Z)-tetradec-9-enyl] nitrate (CID 10400241) is [(Z)-tetradec-9-enyl] nitrate.
What is the SMILES notation for [(Z)-tetradec-9-enyl] nitrate?
The canonical SMILES for [(Z)-tetradec-9-enyl] nitrate is CCCC/C=C\CCCCCCCCO[N+](=O)[O-].
What is the InChIKey of [(Z)-tetradec-9-enyl] nitrate?
The InChIKey is GOXHVGMEFOPASR-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17/h5-6H,2-4,7-14H2,1H3/b6-5-.
What are the key properties of [(Z)-tetradec-9-enyl] nitrate?
[(Z)-tetradec-9-enyl] nitrate has a molecular weight of 257.37 g/mol, XLogP of 4.67, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-tetradec-9-enyl] nitrate is sourced from PubChem (CID 10400241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).