(4Z,6E)-8-hydroperoxyundeca-4,6-diene

C11H20O2 — CID 11286867

IUPAC(4Z,6E)-8-hydroperoxyundeca-4,6-diene
SMILESCCC/C=C\C=C\C(CCC)OO
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-10-11(13-12)9-4-2/h6-8,10-12H,3-5,9H2,1-2H3/b7-6-,10-8+
InChIKeyLNZVWLFVVADVHL-VAAURPRASA-N
MW184.28 g/mol
LogP3.56
Rot. Bonds7

About (4Z,6E)-8-hydroperoxyundeca-4,6-diene

(4Z,6E)-8-hydroperoxyundeca-4,6-diene (PubChem CID 11286867) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4Z,6E)-8-hydroperoxyundeca-4,6-diene.

Molecular Properties

Compound Name(4Z,6E)-8-hydroperoxyundeca-4,6-diene
PubChem CID11286867
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4Z,6E)-8-hydroperoxyundeca-4,6-diene
SMILESCCC/C=C\C=C\C(CCC)OO
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-10-11(13-12)9-4-2/h6-8,10-12H,3-5,9H2,1-2H3/b7-6-,10-8+
InChIKeyLNZVWLFVVADVHL-VAAURPRASA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-8-hydroperoxyundeca-4,6-diene?
The IUPAC name of (4Z,6E)-8-hydroperoxyundeca-4,6-diene (CID 11286867) is (4Z,6E)-8-hydroperoxyundeca-4,6-diene.
What is the SMILES notation for (4Z,6E)-8-hydroperoxyundeca-4,6-diene?
The canonical SMILES for (4Z,6E)-8-hydroperoxyundeca-4,6-diene is CCC/C=C\C=C\C(CCC)OO.
What is the InChIKey of (4Z,6E)-8-hydroperoxyundeca-4,6-diene?
The InChIKey is LNZVWLFVVADVHL-VAAURPRASA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-6-7-8-10-11(13-12)9-4-2/h6-8,10-12H,3-5,9H2,1-2H3/b7-6-,10-8+.
What are the key properties of (4Z,6E)-8-hydroperoxyundeca-4,6-diene?
(4Z,6E)-8-hydroperoxyundeca-4,6-diene has a molecular weight of 184.28 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-8-hydroperoxyundeca-4,6-diene is sourced from PubChem (CID 11286867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).