(E)-1-hydroperoxy-2-methylbut-2-ene

C5H10O2 — CID 20660041

IUPAC(E)-1-hydroperoxy-2-methylbut-2-ene
SMILESC/C=C(\C)COO
InChIInChI=1S/C5H10O2/c1-3-5(2)4-7-6/h3,6H,4H2,1-2H3/b5-3+
InChIKeyMKVIYACRJAOOCL-HWKANZROSA-N
MW102.13 g/mol
LogP1.44
Rot. Bonds2

About (E)-1-hydroperoxy-2-methylbut-2-ene

(E)-1-hydroperoxy-2-methylbut-2-ene (PubChem CID 20660041) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is (E)-1-hydroperoxy-2-methylbut-2-ene.

Molecular Properties

Compound Name(E)-1-hydroperoxy-2-methylbut-2-ene
PubChem CID20660041
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name(E)-1-hydroperoxy-2-methylbut-2-ene
SMILESC/C=C(\C)COO
InChIInChI=1S/C5H10O2/c1-3-5(2)4-7-6/h3,6H,4H2,1-2H3/b5-3+
InChIKeyMKVIYACRJAOOCL-HWKANZROSA-N
XLogP1.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 51.44
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-hydroperoxy-2-methylbut-2-ene?
The IUPAC name of (E)-1-hydroperoxy-2-methylbut-2-ene (CID 20660041) is (E)-1-hydroperoxy-2-methylbut-2-ene.
What is the SMILES notation for (E)-1-hydroperoxy-2-methylbut-2-ene?
The canonical SMILES for (E)-1-hydroperoxy-2-methylbut-2-ene is C/C=C(\C)COO.
What is the InChIKey of (E)-1-hydroperoxy-2-methylbut-2-ene?
The InChIKey is MKVIYACRJAOOCL-HWKANZROSA-N. The full InChI is InChI=1S/C5H10O2/c1-3-5(2)4-7-6/h3,6H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-1-hydroperoxy-2-methylbut-2-ene?
(E)-1-hydroperoxy-2-methylbut-2-ene has a molecular weight of 102.13 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-hydroperoxy-2-methylbut-2-ene is sourced from PubChem (CID 20660041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).