(2Z,4E,8Z)-6-hydroperoxydeca-2,4,8-triene

C10H16O2 — CID 58855001

IUPAC(2Z,4E,8Z)-6-hydroperoxydeca-2,4,8-triene
SMILESC/C=C\C=C\C(C/C=C\C)OO
InChIInChI=1S/C10H16O2/c1-3-5-7-9-10(12-11)8-6-4-2/h3-7,9-11H,8H2,1-2H3/b5-3-,6-4-,9-7+
InChIKeyLUEHCNWJLFTNQA-AQJMMWSSSA-N
MW168.24 g/mol
LogP2.94
Rot. Bonds5

About (2Z,4E,8Z)-6-hydroperoxydeca-2,4,8-triene

(2Z,4E,8Z)-6-hydroperoxydeca-2,4,8-triene (PubChem CID 58855001) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2Z,4E,8Z)-6-hydroperoxydeca-2,4,8-triene.

Molecular Properties

Compound Name(2Z,4E,8Z)-6-hydroperoxydeca-2,4,8-triene
PubChem CID58855001
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2Z,4E,8Z)-6-hydroperoxydeca-2,4,8-triene
SMILESC/C=C\C=C\C(C/C=C\C)OO
InChIInChI=1S/C10H16O2/c1-3-5-7-9-10(12-11)8-6-4-2/h3-7,9-11H,8H2,1-2H3/b5-3-,6-4-,9-7+
InChIKeyLUEHCNWJLFTNQA-AQJMMWSSSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4E,8Z)-6-hydroperoxydeca-2,4,8-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,8Z)-6-hydroperoxydeca-2,4,8-triene?
The IUPAC name of (2Z,4E,8Z)-6-hydroperoxydeca-2,4,8-triene (CID 58855001) is (2Z,4E,8Z)-6-hydroperoxydeca-2,4,8-triene.
What is the SMILES notation for (2Z,4E,8Z)-6-hydroperoxydeca-2,4,8-triene?
The canonical SMILES for (2Z,4E,8Z)-6-hydroperoxydeca-2,4,8-triene is C/C=C\C=C\C(C/C=C\C)OO.
What is the InChIKey of (2Z,4E,8Z)-6-hydroperoxydeca-2,4,8-triene?
The InChIKey is LUEHCNWJLFTNQA-AQJMMWSSSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-7-9-10(12-11)8-6-4-2/h3-7,9-11H,8H2,1-2H3/b5-3-,6-4-,9-7+.
What are the key properties of (2Z,4E,8Z)-6-hydroperoxydeca-2,4,8-triene?
(2Z,4E,8Z)-6-hydroperoxydeca-2,4,8-triene has a molecular weight of 168.24 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,8Z)-6-hydroperoxydeca-2,4,8-triene is sourced from PubChem (CID 58855001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).