(1Z)-4-hydroxy-1-methoxy-2-methylpenta-1,4-dien-3-one

C7H10O3 — CID 143263207

IUPAC(1Z)-4-hydroxy-1-methoxy-2-methylpenta-1,4-dien-3-one
SMILESC=C(O)C(=O)/C(C)=C\OC
InChIInChI=1S/C7H10O3/c1-5(4-10-3)7(9)6(2)8/h4,8H,2H2,1,3H3/b5-4-
InChIKeyNDWWKWQARQZENX-PLNGDYQASA-N
MW142.15 g/mol
LogP1.18
Rot. Bonds3

About (1Z)-4-hydroxy-1-methoxy-2-methylpenta-1,4-dien-3-one

(1Z)-4-hydroxy-1-methoxy-2-methylpenta-1,4-dien-3-one (PubChem CID 143263207) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (1Z)-4-hydroxy-1-methoxy-2-methylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name(1Z)-4-hydroxy-1-methoxy-2-methylpenta-1,4-dien-3-one
PubChem CID143263207
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(1Z)-4-hydroxy-1-methoxy-2-methylpenta-1,4-dien-3-one
SMILESC=C(O)C(=O)/C(C)=C\OC
InChIInChI=1S/C7H10O3/c1-5(4-10-3)7(9)6(2)8/h4,8H,2H2,1,3H3/b5-4-
InChIKeyNDWWKWQARQZENX-PLNGDYQASA-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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-4-hydroxy-1-methoxy-2-methylpenta-1,4-dien-3-one?
The IUPAC name of (1Z)-4-hydroxy-1-methoxy-2-methylpenta-1,4-dien-3-one (CID 143263207) is (1Z)-4-hydroxy-1-methoxy-2-methylpenta-1,4-dien-3-one.
What is the SMILES notation for (1Z)-4-hydroxy-1-methoxy-2-methylpenta-1,4-dien-3-one?
The canonical SMILES for (1Z)-4-hydroxy-1-methoxy-2-methylpenta-1,4-dien-3-one is C=C(O)C(=O)/C(C)=C\OC.
What is the InChIKey of (1Z)-4-hydroxy-1-methoxy-2-methylpenta-1,4-dien-3-one?
The InChIKey is NDWWKWQARQZENX-PLNGDYQASA-N. The full InChI is InChI=1S/C7H10O3/c1-5(4-10-3)7(9)6(2)8/h4,8H,2H2,1,3H3/b5-4-.
What are the key properties of (1Z)-4-hydroxy-1-methoxy-2-methylpenta-1,4-dien-3-one?
(1Z)-4-hydroxy-1-methoxy-2-methylpenta-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 (1Z)-4-hydroxy-1-methoxy-2-methylpenta-1,4-dien-3-one is sourced from PubChem (CID 143263207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).