(E)-1-hydroperoxyhex-1-ene

C6H12O2 — CID 23047015

IUPAC(E)-1-hydroperoxyhex-1-ene
SMILESCCCC/C=C/OO
InChIInChI=1S/C6H12O2/c1-2-3-4-5-6-8-7/h5-7H,2-4H2,1H3/b6-5+
InChIKeyDNHNDFYWOZPLLL-AATRIKPKSA-N
MW116.16 g/mol
LogP2.18
Rot. Bonds4

About (E)-1-hydroperoxyhex-1-ene

(E)-1-hydroperoxyhex-1-ene (PubChem CID 23047015) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (E)-1-hydroperoxyhex-1-ene.

Molecular Properties

Compound Name(E)-1-hydroperoxyhex-1-ene
PubChem CID23047015
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(E)-1-hydroperoxyhex-1-ene
SMILESCCCC/C=C/OO
InChIInChI=1S/C6H12O2/c1-2-3-4-5-6-8-7/h5-7H,2-4H2,1H3/b6-5+
InChIKeyDNHNDFYWOZPLLL-AATRIKPKSA-N
XLogP2.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-hydroperoxyhex-1-ene?
The IUPAC name of (E)-1-hydroperoxyhex-1-ene (CID 23047015) is (E)-1-hydroperoxyhex-1-ene.
What is the SMILES notation for (E)-1-hydroperoxyhex-1-ene?
The canonical SMILES for (E)-1-hydroperoxyhex-1-ene is CCCC/C=C/OO.
What is the InChIKey of (E)-1-hydroperoxyhex-1-ene?
The InChIKey is DNHNDFYWOZPLLL-AATRIKPKSA-N. The full InChI is InChI=1S/C6H12O2/c1-2-3-4-5-6-8-7/h5-7H,2-4H2,1H3/b6-5+.
What are the key properties of (E)-1-hydroperoxyhex-1-ene?
(E)-1-hydroperoxyhex-1-ene has a molecular weight of 116.16 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-hydroperoxyhex-1-ene is sourced from PubChem (CID 23047015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).