dec-9-enyl nitrite

C10H19NO2 — CID 14044507

IUPACdec-9-enyl nitrite
SMILESC=CCCCCCCCCON=O
InChIInChI=1S/C10H19NO2/c1-2-3-4-5-6-7-8-9-10-13-11-12/h2H,1,3-10H2
InChIKeyUVYMKZXFDCGSQG-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.60
Rot. Bonds10

About dec-9-enyl nitrite

dec-9-enyl nitrite (PubChem CID 14044507) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is dec-9-enyl nitrite.

Molecular Properties

Compound Namedec-9-enyl nitrite
PubChem CID14044507
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namedec-9-enyl nitrite
SMILESC=CCCCCCCCCON=O
InChIInChI=1S/C10H19NO2/c1-2-3-4-5-6-7-8-9-10-13-11-12/h2H,1,3-10H2
InChIKeyUVYMKZXFDCGSQG-UHFFFAOYSA-N
XLogP3.60
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.60
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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Related Compounds

O-(undec-10-en-1-yl)hydroxylamine
CID 59030215
(z)-9-Tetradecenyl nitrate
CID 10400241
(z)-8-Tridecenyl nitrate
CID 10263826
Non-8-enyl nitrite
CID 14044506
[(E)-tetradec-9-enyl] nitrate
CID 9943081
[(Z)-tridec-9-enyl] nitrate
CID 10354435
Oct-7-enyl nitrate
CID 54393567
oxo-bis[(Z)-tetradec-9-enoxy]azanium
CID 57504042
Oxo-bis(tetradec-9-enoxy)azanium
CID 76550262
Tetradec-9-enyl nitrate
CID 85073279
[(Z)-octadec-9-enyl] nitrate
CID 88697343
[(E)-tetradec-1-enyl] nitrite
CID 88756449

Frequently Asked Questions

What is the IUPAC name of dec-9-enyl nitrite?
The IUPAC name of dec-9-enyl nitrite (CID 14044507) is dec-9-enyl nitrite.
What is the SMILES notation for dec-9-enyl nitrite?
The canonical SMILES for dec-9-enyl nitrite is C=CCCCCCCCCON=O.
What is the InChIKey of dec-9-enyl nitrite?
The InChIKey is UVYMKZXFDCGSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-4-5-6-7-8-9-10-13-11-12/h2H,1,3-10H2.
What are the key properties of dec-9-enyl nitrite?
dec-9-enyl nitrite has a molecular weight of 185.27 g/mol, XLogP of 3.60, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-enyl nitrite is sourced from PubChem (CID 14044507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).