(4R)-4-hydroperoxyoct-7-en-2-one

C8H14O3 — CID 135001061

IUPAC(4R)-4-hydroperoxyoct-7-en-2-one
SMILESC=CCC[C@H](CC(C)=O)OO
InChIInChI=1S/C8H14O3/c1-3-4-5-8(11-10)6-7(2)9/h3,8,10H,1,4-6H2,2H3/t8-/m1/s1
InChIKeyJEHVRAYOYHKNSQ-MRVPVSSYSA-N
MW158.20 g/mol
LogP1.79
Rot. Bonds6

About (4R)-4-hydroperoxyoct-7-en-2-one

(4R)-4-hydroperoxyoct-7-en-2-one (PubChem CID 135001061) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (4R)-4-hydroperoxyoct-7-en-2-one.

Molecular Properties

Compound Name(4R)-4-hydroperoxyoct-7-en-2-one
PubChem CID135001061
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(4R)-4-hydroperoxyoct-7-en-2-one
SMILESC=CCC[C@H](CC(C)=O)OO
InChIInChI=1S/C8H14O3/c1-3-4-5-8(11-10)6-7(2)9/h3,8,10H,1,4-6H2,2H3/t8-/m1/s1
InChIKeyJEHVRAYOYHKNSQ-MRVPVSSYSA-N
XLogP1.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (4R)-4-hydroperoxyoct-7-en-2-one?
The IUPAC name of (4R)-4-hydroperoxyoct-7-en-2-one (CID 135001061) is (4R)-4-hydroperoxyoct-7-en-2-one.
What is the SMILES notation for (4R)-4-hydroperoxyoct-7-en-2-one?
The canonical SMILES for (4R)-4-hydroperoxyoct-7-en-2-one is C=CCC[C@H](CC(C)=O)OO.
What is the InChIKey of (4R)-4-hydroperoxyoct-7-en-2-one?
The InChIKey is JEHVRAYOYHKNSQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-4-5-8(11-10)6-7(2)9/h3,8,10H,1,4-6H2,2H3/t8-/m1/s1.
What are the key properties of (4R)-4-hydroperoxyoct-7-en-2-one?
(4R)-4-hydroperoxyoct-7-en-2-one has a molecular weight of 158.20 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroperoxyoct-7-en-2-one is sourced from PubChem (CID 135001061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).