non-8-enyl nitrite

C9H17NO2 — CID 14044506

IUPACnon-8-enyl nitrite
SMILESC=CCCCCCCCON=O
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-6-7-8-9-12-10-11/h2H,1,3-9H2
InChIKeyDSZAHNOJYZZAOT-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.21
Rot. Bonds9

About non-8-enyl nitrite

non-8-enyl nitrite (PubChem CID 14044506) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is non-8-enyl nitrite.

Molecular Properties

Compound Namenon-8-enyl nitrite
PubChem CID14044506
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namenon-8-enyl nitrite
SMILESC=CCCCCCCCON=O
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-6-7-8-9-12-10-11/h2H,1,3-9H2
InChIKeyDSZAHNOJYZZAOT-UHFFFAOYSA-N
XLogP3.21
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.21
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of non-8-enyl nitrite?
The IUPAC name of non-8-enyl nitrite (CID 14044506) is non-8-enyl nitrite.
What is the SMILES notation for non-8-enyl nitrite?
The canonical SMILES for non-8-enyl nitrite is C=CCCCCCCCON=O.
What is the InChIKey of non-8-enyl nitrite?
The InChIKey is DSZAHNOJYZZAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-4-5-6-7-8-9-12-10-11/h2H,1,3-9H2.
What are the key properties of non-8-enyl nitrite?
non-8-enyl nitrite has a molecular weight of 171.24 g/mol, XLogP of 3.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for non-8-enyl nitrite is sourced from PubChem (CID 14044506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).