(2Z,4Z,6E)-8-tert-butylperoxy-8-methylnona-2,4,6-triene

C14H24O2 — CID 143646940

IUPAC(2Z,4Z,6E)-8-tert-butylperoxy-8-methylnona-2,4,6-triene
SMILESC/C=C\C=C/C=C/C(C)(C)OOC(C)(C)C
InChIInChI=1S/C14H24O2/c1-7-8-9-10-11-12-14(5,6)16-15-13(2,3)4/h7-12H,1-6H3/b8-7-,10-9-,12-11+
InChIKeyJRSOLPQIRNSMBF-PWLDKSICSA-N
MW224.34 g/mol
LogP4.20
Rot. Bonds5

About (2Z,4Z,6E)-8-tert-butylperoxy-8-methylnona-2,4,6-triene

(2Z,4Z,6E)-8-tert-butylperoxy-8-methylnona-2,4,6-triene (PubChem CID 143646940) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (2Z,4Z,6E)-8-tert-butylperoxy-8-methylnona-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4Z,6E)-8-tert-butylperoxy-8-methylnona-2,4,6-triene
PubChem CID143646940
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(2Z,4Z,6E)-8-tert-butylperoxy-8-methylnona-2,4,6-triene
SMILESC/C=C\C=C/C=C/C(C)(C)OOC(C)(C)C
InChIInChI=1S/C14H24O2/c1-7-8-9-10-11-12-14(5,6)16-15-13(2,3)4/h7-12H,1-6H3/b8-7-,10-9-,12-11+
InChIKeyJRSOLPQIRNSMBF-PWLDKSICSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
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 (2Z,4Z,6E)-8-tert-butylperoxy-8-methylnona-2,4,6-triene?
The IUPAC name of (2Z,4Z,6E)-8-tert-butylperoxy-8-methylnona-2,4,6-triene (CID 143646940) is (2Z,4Z,6E)-8-tert-butylperoxy-8-methylnona-2,4,6-triene.
What is the SMILES notation for (2Z,4Z,6E)-8-tert-butylperoxy-8-methylnona-2,4,6-triene?
The canonical SMILES for (2Z,4Z,6E)-8-tert-butylperoxy-8-methylnona-2,4,6-triene is C/C=C\C=C/C=C/C(C)(C)OOC(C)(C)C.
What is the InChIKey of (2Z,4Z,6E)-8-tert-butylperoxy-8-methylnona-2,4,6-triene?
The InChIKey is JRSOLPQIRNSMBF-PWLDKSICSA-N. The full InChI is InChI=1S/C14H24O2/c1-7-8-9-10-11-12-14(5,6)16-15-13(2,3)4/h7-12H,1-6H3/b8-7-,10-9-,12-11+.
What are the key properties of (2Z,4Z,6E)-8-tert-butylperoxy-8-methylnona-2,4,6-triene?
(2Z,4Z,6E)-8-tert-butylperoxy-8-methylnona-2,4,6-triene has a molecular weight of 224.34 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E)-8-tert-butylperoxy-8-methylnona-2,4,6-triene is sourced from PubChem (CID 143646940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).