(E)-6-methoxy-4-methylhex-4-enal

C8H14O2 — CID 59967277

IUPAC(E)-6-methoxy-4-methylhex-4-enal
SMILESCOC/C=C(\C)CCC=O
InChIInChI=1S/C8H14O2/c1-8(4-3-6-9)5-7-10-2/h5-6H,3-4,7H2,1-2H3/b8-5+
InChIKeyHSMXFBDGJZGQGK-VMPITWQZSA-N
MW142.20 g/mol
LogP1.56
Rot. Bonds5

About (E)-6-methoxy-4-methylhex-4-enal

(E)-6-methoxy-4-methylhex-4-enal (PubChem CID 59967277) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (E)-6-methoxy-4-methylhex-4-enal.

Molecular Properties

Compound Name(E)-6-methoxy-4-methylhex-4-enal
PubChem CID59967277
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(E)-6-methoxy-4-methylhex-4-enal
SMILESCOC/C=C(\C)CCC=O
InChIInChI=1S/C8H14O2/c1-8(4-3-6-9)5-7-10-2/h5-6H,3-4,7H2,1-2H3/b8-5+
InChIKeyHSMXFBDGJZGQGK-VMPITWQZSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-6-methoxy-4-methylhex-4-enal 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)-1,5-dimethoxy-3-methylpent-2-ene
CID 146216379
(Z)-1-methoxy-3-methylpent-2-ene
CID 102323192
ethane;(Z)-1-methoxy-3-methylpent-2-ene
CID 168979167
4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
(6E)-8-methoxy-2,6-dimethylocta-1,6-diene
CID 87447778
(3,7-dimethyl-10-oxodeca-2,6-dienyl) benzoate
CID 71325361
1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 3018010
(E)-9-bromo-4-methyl-8-oxonon-4-enal
CID 12944767
(E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid
CID 11106098
(4E,8E,12E)-4,5,12-trimethylhexadeca-4,8,12-trienal
CID 135190023
(Z)-8-hydroxy-4,8,9-trimethyldec-4-enal
CID 156834915
ethyl 2,6-dimethyl-9-oxonon-5-enoate
CID 165357841

Frequently Asked Questions

What is the IUPAC name of (E)-6-methoxy-4-methylhex-4-enal?
The IUPAC name of (E)-6-methoxy-4-methylhex-4-enal (CID 59967277) is (E)-6-methoxy-4-methylhex-4-enal.
What is the SMILES notation for (E)-6-methoxy-4-methylhex-4-enal?
The canonical SMILES for (E)-6-methoxy-4-methylhex-4-enal is COC/C=C(\C)CCC=O.
What is the InChIKey of (E)-6-methoxy-4-methylhex-4-enal?
The InChIKey is HSMXFBDGJZGQGK-VMPITWQZSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(4-3-6-9)5-7-10-2/h5-6H,3-4,7H2,1-2H3/b8-5+.
What are the key properties of (E)-6-methoxy-4-methylhex-4-enal?
(E)-6-methoxy-4-methylhex-4-enal has a molecular weight of 142.20 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methoxy-4-methylhex-4-enal is sourced from PubChem (CID 59967277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).