(E)-8-nitrooct-2-ene

C8H15NO2 — CID 134995864

IUPAC(E)-8-nitrooct-2-ene
SMILESC/C=C/CCCCC[N+](=O)[O-]
InChIInChI=1S/C8H15NO2/c1-2-3-4-5-6-7-8-9(10)11/h2-3H,4-8H2,1H3/b3-2+
InChIKeyGUYBKQZFAKXSOP-NSCUHMNNSA-N
MW157.21 g/mol
LogP2.40
Rot. Bonds6

About (E)-8-nitrooct-2-ene

(E)-8-nitrooct-2-ene (PubChem CID 134995864) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (E)-8-nitrooct-2-ene.

Molecular Properties

Compound Name(E)-8-nitrooct-2-ene
PubChem CID134995864
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(E)-8-nitrooct-2-ene
SMILESC/C=C/CCCCC[N+](=O)[O-]
InChIInChI=1S/C8H15NO2/c1-2-3-4-5-6-7-8-9(10)11/h2-3H,4-8H2,1H3/b3-2+
InChIKeyGUYBKQZFAKXSOP-NSCUHMNNSA-N
XLogP2.40
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-8-nitrooct-2-ene?
The IUPAC name of (E)-8-nitrooct-2-ene (CID 134995864) is (E)-8-nitrooct-2-ene.
What is the SMILES notation for (E)-8-nitrooct-2-ene?
The canonical SMILES for (E)-8-nitrooct-2-ene is C/C=C/CCCCC[N+](=O)[O-].
What is the InChIKey of (E)-8-nitrooct-2-ene?
The InChIKey is GUYBKQZFAKXSOP-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-4-5-6-7-8-9(10)11/h2-3H,4-8H2,1H3/b3-2+.
What are the key properties of (E)-8-nitrooct-2-ene?
(E)-8-nitrooct-2-ene has a molecular weight of 157.21 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-nitrooct-2-ene is sourced from PubChem (CID 134995864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).