(Z)-6-methoxy-4-oxohex-2-enal

C7H10O3 — CID 131234985

IUPAC(Z)-6-methoxy-4-oxohex-2-enal
SMILESCOCCC(=O)/C=C\C=O
InChIInChI=1S/C7H10O3/c1-10-6-4-7(9)3-2-5-8/h2-3,5H,4,6H2,1H3/b3-2-
InChIKeyPOBXZRDOWIMNPY-IHWYPQMZSA-N
MW142.15 g/mol
LogP0.35
Rot. Bonds5

About (Z)-6-methoxy-4-oxohex-2-enal

(Z)-6-methoxy-4-oxohex-2-enal (PubChem CID 131234985) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (Z)-6-methoxy-4-oxohex-2-enal.

Molecular Properties

Compound Name(Z)-6-methoxy-4-oxohex-2-enal
PubChem CID131234985
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(Z)-6-methoxy-4-oxohex-2-enal
SMILESCOCCC(=O)/C=C\C=O
InChIInChI=1S/C7H10O3/c1-10-6-4-7(9)3-2-5-8/h2-3,5H,4,6H2,1H3/b3-2-
InChIKeyPOBXZRDOWIMNPY-IHWYPQMZSA-N
XLogP0.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-methoxy-4-oxohex-2-enal?
The IUPAC name of (Z)-6-methoxy-4-oxohex-2-enal (CID 131234985) is (Z)-6-methoxy-4-oxohex-2-enal.
What is the SMILES notation for (Z)-6-methoxy-4-oxohex-2-enal?
The canonical SMILES for (Z)-6-methoxy-4-oxohex-2-enal is COCCC(=O)/C=C\C=O.
What is the InChIKey of (Z)-6-methoxy-4-oxohex-2-enal?
The InChIKey is POBXZRDOWIMNPY-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H10O3/c1-10-6-4-7(9)3-2-5-8/h2-3,5H,4,6H2,1H3/b3-2-.
What are the key properties of (Z)-6-methoxy-4-oxohex-2-enal?
(Z)-6-methoxy-4-oxohex-2-enal has a molecular weight of 142.15 g/mol, XLogP of 0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methoxy-4-oxohex-2-enal is sourced from PubChem (CID 131234985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).