dec-9-enyl nitrate

C10H19NO3 — CID 139910352

IUPACdec-9-enyl nitrate
SMILESC=CCCCCCCCCO[N+](=O)[O-]
InChIInChI=1S/C10H19NO3/c1-2-3-4-5-6-7-8-9-10-14-11(12)13/h2H,1,3-10H2
InChIKeyZIRQNAWGYDFDGP-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.11
Rot. Bonds10

About dec-9-enyl nitrate

dec-9-enyl nitrate (PubChem CID 139910352) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is dec-9-enyl nitrate.

Molecular Properties

Compound Namedec-9-enyl nitrate
PubChem CID139910352
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namedec-9-enyl nitrate
SMILESC=CCCCCCCCCO[N+](=O)[O-]
InChIInChI=1S/C10H19NO3/c1-2-3-4-5-6-7-8-9-10-14-11(12)13/h2H,1,3-10H2
InChIKeyZIRQNAWGYDFDGP-UHFFFAOYSA-N
XLogP3.11
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.11
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 dec-9-enyl nitrate?
The IUPAC name of dec-9-enyl nitrate (CID 139910352) is dec-9-enyl nitrate.
What is the SMILES notation for dec-9-enyl nitrate?
The canonical SMILES for dec-9-enyl nitrate is C=CCCCCCCCCO[N+](=O)[O-].
What is the InChIKey of dec-9-enyl nitrate?
The InChIKey is ZIRQNAWGYDFDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-8-9-10-14-11(12)13/h2H,1,3-10H2.
What are the key properties of dec-9-enyl nitrate?
dec-9-enyl nitrate has a molecular weight of 201.27 g/mol, XLogP of 3.11, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-enyl nitrate is sourced from PubChem (CID 139910352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).