(2E,5E)-7-hydroxyocta-2,5-dien-4-one

C8H12O2 — CID 10419264

IUPAC(2E,5E)-7-hydroxyocta-2,5-dien-4-one
SMILESC/C=C/C(=O)/C=C/C(C)O
InChIInChI=1S/C8H12O2/c1-3-4-8(10)6-5-7(2)9/h3-7,9H,1-2H3/b4-3+,6-5+
InChIKeyPWLGDDGDANMKPF-VNKDHWASSA-N
MW140.18 g/mol
LogP1.07
Rot. Bonds3

About (2E,5E)-7-hydroxyocta-2,5-dien-4-one

(2E,5E)-7-hydroxyocta-2,5-dien-4-one (PubChem CID 10419264) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (2E,5E)-7-hydroxyocta-2,5-dien-4-one.

Molecular Properties

Compound Name(2E,5E)-7-hydroxyocta-2,5-dien-4-one
PubChem CID10419264
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(2E,5E)-7-hydroxyocta-2,5-dien-4-one
SMILESC/C=C/C(=O)/C=C/C(C)O
InChIInChI=1S/C8H12O2/c1-3-4-8(10)6-5-7(2)9/h3-7,9H,1-2H3/b4-3+,6-5+
InChIKeyPWLGDDGDANMKPF-VNKDHWASSA-N
XLogP1.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.07
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 (2E,5E)-7-hydroxyocta-2,5-dien-4-one?
The IUPAC name of (2E,5E)-7-hydroxyocta-2,5-dien-4-one (CID 10419264) is (2E,5E)-7-hydroxyocta-2,5-dien-4-one.
What is the SMILES notation for (2E,5E)-7-hydroxyocta-2,5-dien-4-one?
The canonical SMILES for (2E,5E)-7-hydroxyocta-2,5-dien-4-one is C/C=C/C(=O)/C=C/C(C)O.
What is the InChIKey of (2E,5E)-7-hydroxyocta-2,5-dien-4-one?
The InChIKey is PWLGDDGDANMKPF-VNKDHWASSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-4-8(10)6-5-7(2)9/h3-7,9H,1-2H3/b4-3+,6-5+.
What are the key properties of (2E,5E)-7-hydroxyocta-2,5-dien-4-one?
(2E,5E)-7-hydroxyocta-2,5-dien-4-one has a molecular weight of 140.18 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-7-hydroxyocta-2,5-dien-4-one is sourced from PubChem (CID 10419264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).