(1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one

C7H10O3 — CID 177152901

IUPAC(1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one
SMILESCO/C(C)=C\C(=O)/C=C/O
InChIInChI=1S/C7H10O3/c1-6(10-2)5-7(9)3-4-8/h3-5,8H,1-2H3/b4-3+,6-5-
InChIKeyBTMAABSFRRYQKG-ICWBMWKASA-N
MW142.15 g/mol
LogP1.18
Rot. Bonds3

About (1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one

(1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one (PubChem CID 177152901) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one
PubChem CID177152901
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one
SMILESCO/C(C)=C\C(=O)/C=C/O
InChIInChI=1S/C7H10O3/c1-6(10-2)5-7(9)3-4-8/h3-5,8H,1-2H3/b4-3+,6-5-
InChIKeyBTMAABSFRRYQKG-ICWBMWKASA-N
XLogP1.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-methoxybut-2-enethioic S-acid
CID 146597940
3-methoxybut-2-enoyl chloride
CID 54557484
(Z)-5-methoxyhex-4-en-2-one
CID 87291047
methyl 4-methoxypent-3-enoate
CID 131857194
2,4-dimethoxypenta-1,3-diene
CID 90861204
(Z)-1,1,1-trifluoro-5-methoxyhex-4-en-3-one
CID 162622966
methyl (2E,4E,6E)-4,6-dimethylocta-2,4,6-trienoate
CID 135011954
ethyl 2-ethylidene-4-methoxypent-3-enoate
CID 123724033
(Z)-N-cyclopentyl-3-methoxybut-2-enamide
CID 70612177
methyl acetate;ruthenium
CID 160799101
(1E,4E)-1-hydroxy-6-methylhepta-1,4-dien-3-one
CID 171377981
(E)-7-methoxyoct-6-en-2-one
CID 15877252

Frequently Asked Questions

What is the IUPAC name of (1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one?
The IUPAC name of (1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one (CID 177152901) is (1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one.
What is the SMILES notation for (1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one?
The canonical SMILES for (1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one is CO/C(C)=C\C(=O)/C=C/O.
What is the InChIKey of (1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one?
The InChIKey is BTMAABSFRRYQKG-ICWBMWKASA-N. The full InChI is InChI=1S/C7H10O3/c1-6(10-2)5-7(9)3-4-8/h3-5,8H,1-2H3/b4-3+,6-5-.
What are the key properties of (1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one?
(1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one has a molecular weight of 142.15 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one is sourced from PubChem (CID 177152901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).