(E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene

C16H32O4 — CID 11659272

IUPAC(E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene
SMILESCC(C)(C)OOC(C)(C)/C=C/C(C)(C)OOC(C)(C)C
InChIInChI=1S/C16H32O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H,1-10H3/b12-11+
InChIKeyVVFNNEKHSFZNKA-VAWYXSNFSA-N
MW288.43 g/mol
LogP4.59
Rot. Bonds6

About (E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene

(E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene (PubChem CID 11659272) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is (E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene.

Molecular Properties

Compound Name(E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene
PubChem CID11659272
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name(E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene
SMILESCC(C)(C)OOC(C)(C)/C=C/C(C)(C)OOC(C)(C)C
InChIInChI=1S/C16H32O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H,1-10H3/b12-11+
InChIKeyVVFNNEKHSFZNKA-VAWYXSNFSA-N
XLogP4.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene?
The IUPAC name of (E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene (CID 11659272) is (E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene.
What is the SMILES notation for (E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene?
The canonical SMILES for (E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene is CC(C)(C)OOC(C)(C)/C=C/C(C)(C)OOC(C)(C)C.
What is the InChIKey of (E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene?
The InChIKey is VVFNNEKHSFZNKA-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H32O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H,1-10H3/b12-11+.
What are the key properties of (E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene?
(E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene has a molecular weight of 288.43 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene is sourced from PubChem (CID 11659272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).