[(E)-tetradec-1-enyl] nitrite

C14H27NO2 — CID 88756449

IUPAC[(E)-tetradec-1-enyl] nitrite
SMILESCCCCCCCCCCCC/C=C/ON=O
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16/h13-14H,2-12H2,1H3/b14-13+
InChIKeyJULUPDQXMNYSEW-BUHFOSPRSA-N
MW241.37 g/mol
LogP5.51
Rot. Bonds13

About [(E)-tetradec-1-enyl] nitrite

[(E)-tetradec-1-enyl] nitrite (PubChem CID 88756449) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is [(E)-tetradec-1-enyl] nitrite.

Molecular Properties

Compound Name[(E)-tetradec-1-enyl] nitrite
PubChem CID88756449
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name[(E)-tetradec-1-enyl] nitrite
SMILESCCCCCCCCCCCC/C=C/ON=O
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16/h13-14H,2-12H2,1H3/b14-13+
InChIKeyJULUPDQXMNYSEW-BUHFOSPRSA-N
XLogP5.51
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.37
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 [(E)-tetradec-1-enyl] nitrite?
The IUPAC name of [(E)-tetradec-1-enyl] nitrite (CID 88756449) is [(E)-tetradec-1-enyl] nitrite.
What is the SMILES notation for [(E)-tetradec-1-enyl] nitrite?
The canonical SMILES for [(E)-tetradec-1-enyl] nitrite is CCCCCCCCCCCC/C=C/ON=O.
What is the InChIKey of [(E)-tetradec-1-enyl] nitrite?
The InChIKey is JULUPDQXMNYSEW-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16/h13-14H,2-12H2,1H3/b14-13+.
What are the key properties of [(E)-tetradec-1-enyl] nitrite?
[(E)-tetradec-1-enyl] nitrite has a molecular weight of 241.37 g/mol, XLogP of 5.51, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-tetradec-1-enyl] nitrite is sourced from PubChem (CID 88756449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).