(Z)-3-nitrooct-3-ene

C8H15NO2 — CID 6433465

IUPAC(Z)-3-nitrooct-3-ene
SMILESCCCC/C=C(/CC)[N+](=O)[O-]
InChIInChI=1S/C8H15NO2/c1-3-5-6-7-8(4-2)9(10)11/h7H,3-6H2,1-2H3/b8-7-
InChIKeyWXCHLANPJRZEII-FPLPWBNLSA-N
MW157.21 g/mol
LogP2.75
Rot. Bonds5

About (Z)-3-nitrooct-3-ene

(Z)-3-nitrooct-3-ene (PubChem CID 6433465) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (Z)-3-nitrooct-3-ene.

Molecular Properties

Compound Name(Z)-3-nitrooct-3-ene
PubChem CID6433465
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(Z)-3-nitrooct-3-ene
SMILESCCCC/C=C(/CC)[N+](=O)[O-]
InChIInChI=1S/C8H15NO2/c1-3-5-6-7-8(4-2)9(10)11/h7H,3-6H2,1-2H3/b8-7-
InChIKeyWXCHLANPJRZEII-FPLPWBNLSA-N
XLogP2.75
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 (Z)-3-nitrooct-3-ene?
The IUPAC name of (Z)-3-nitrooct-3-ene (CID 6433465) is (Z)-3-nitrooct-3-ene.
What is the SMILES notation for (Z)-3-nitrooct-3-ene?
The canonical SMILES for (Z)-3-nitrooct-3-ene is CCCC/C=C(/CC)[N+](=O)[O-].
What is the InChIKey of (Z)-3-nitrooct-3-ene?
The InChIKey is WXCHLANPJRZEII-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-6-7-8(4-2)9(10)11/h7H,3-6H2,1-2H3/b8-7-.
What are the key properties of (Z)-3-nitrooct-3-ene?
(Z)-3-nitrooct-3-ene has a molecular weight of 157.21 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-nitrooct-3-ene is sourced from PubChem (CID 6433465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).