(E)-1-hydroxyoct-2-en-4-one

C8H14O2 — CID 88992263

IUPAC(E)-1-hydroxyoct-2-en-4-one
SMILESCCCCC(=O)/C=C/CO
InChIInChI=1S/C8H14O2/c1-2-3-5-8(10)6-4-7-9/h4,6,9H,2-3,5,7H2,1H3/b6-4+
InChIKeyLWOZNXIGYPNTPU-GQCTYLIASA-N
MW142.20 g/mol
LogP1.29
Rot. Bonds5

About (E)-1-hydroxyoct-2-en-4-one

(E)-1-hydroxyoct-2-en-4-one (PubChem CID 88992263) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (E)-1-hydroxyoct-2-en-4-one.

Molecular Properties

Compound Name(E)-1-hydroxyoct-2-en-4-one
PubChem CID88992263
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(E)-1-hydroxyoct-2-en-4-one
SMILESCCCCC(=O)/C=C/CO
InChIInChI=1S/C8H14O2/c1-2-3-5-8(10)6-4-7-9/h4,6,9H,2-3,5,7H2,1H3/b6-4+
InChIKeyLWOZNXIGYPNTPU-GQCTYLIASA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-hydroxyoct-2-en-4-one?
The IUPAC name of (E)-1-hydroxyoct-2-en-4-one (CID 88992263) is (E)-1-hydroxyoct-2-en-4-one.
What is the SMILES notation for (E)-1-hydroxyoct-2-en-4-one?
The canonical SMILES for (E)-1-hydroxyoct-2-en-4-one is CCCCC(=O)/C=C/CO.
What is the InChIKey of (E)-1-hydroxyoct-2-en-4-one?
The InChIKey is LWOZNXIGYPNTPU-GQCTYLIASA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-5-8(10)6-4-7-9/h4,6,9H,2-3,5,7H2,1H3/b6-4+.
What are the key properties of (E)-1-hydroxyoct-2-en-4-one?
(E)-1-hydroxyoct-2-en-4-one has a molecular weight of 142.20 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-hydroxyoct-2-en-4-one is sourced from PubChem (CID 88992263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).