(Z)-1,4-dihydroperoxy-2-methylbut-2-ene

C5H10O4 — CID 18731330

IUPAC(Z)-1,4-dihydroperoxy-2-methylbut-2-ene
SMILESC/C(=C/COO)COO
InChIInChI=1S/C5H10O4/c1-5(4-9-7)2-3-8-6/h2,6-7H,3-4H2,1H3/b5-2-
InChIKeyHBRLJVHPPSFBQD-DJWKRKHSSA-N
MW134.13 g/mol
LogP0.91
Rot. Bonds4

About (Z)-1,4-dihydroperoxy-2-methylbut-2-ene

(Z)-1,4-dihydroperoxy-2-methylbut-2-ene (PubChem CID 18731330) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is (Z)-1,4-dihydroperoxy-2-methylbut-2-ene.

Molecular Properties

Compound Name(Z)-1,4-dihydroperoxy-2-methylbut-2-ene
PubChem CID18731330
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name(Z)-1,4-dihydroperoxy-2-methylbut-2-ene
SMILESC/C(=C/COO)COO
InChIInChI=1S/C5H10O4/c1-5(4-9-7)2-3-8-6/h2,6-7H,3-4H2,1H3/b5-2-
InChIKeyHBRLJVHPPSFBQD-DJWKRKHSSA-N
XLogP0.91
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.91
H-Bond Donors ≤ 52
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 (Z)-1,4-dihydroperoxy-2-methylbut-2-ene?
The IUPAC name of (Z)-1,4-dihydroperoxy-2-methylbut-2-ene (CID 18731330) is (Z)-1,4-dihydroperoxy-2-methylbut-2-ene.
What is the SMILES notation for (Z)-1,4-dihydroperoxy-2-methylbut-2-ene?
The canonical SMILES for (Z)-1,4-dihydroperoxy-2-methylbut-2-ene is C/C(=C/COO)COO.
What is the InChIKey of (Z)-1,4-dihydroperoxy-2-methylbut-2-ene?
The InChIKey is HBRLJVHPPSFBQD-DJWKRKHSSA-N. The full InChI is InChI=1S/C5H10O4/c1-5(4-9-7)2-3-8-6/h2,6-7H,3-4H2,1H3/b5-2-.
What are the key properties of (Z)-1,4-dihydroperoxy-2-methylbut-2-ene?
(Z)-1,4-dihydroperoxy-2-methylbut-2-ene has a molecular weight of 134.13 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,4-dihydroperoxy-2-methylbut-2-ene is sourced from PubChem (CID 18731330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).