4-methoxy-2-methylpenta-2,4-dienal

C7H10O2 — CID 123705990

IUPAC4-methoxy-2-methylpenta-2,4-dienal
SMILESC=C(C=C(C)C=O)OC
InChIInChI=1S/C7H10O2/c1-6(5-8)4-7(2)9-3/h4-5H,2H2,1,3H3
InChIKeyYXYWKGNCJOSEKF-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.29
Rot. Bonds3

About 4-methoxy-2-methylpenta-2,4-dienal

4-methoxy-2-methylpenta-2,4-dienal (PubChem CID 123705990) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 4-methoxy-2-methylpenta-2,4-dienal.

Molecular Properties

Compound Name4-methoxy-2-methylpenta-2,4-dienal
PubChem CID123705990
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name4-methoxy-2-methylpenta-2,4-dienal
SMILESC=C(C=C(C)C=O)OC
InChIInChI=1S/C7H10O2/c1-6(5-8)4-7(2)9-3/h4-5H,2H2,1,3H3
InChIKeyYXYWKGNCJOSEKF-UHFFFAOYSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-methoxy-2-methylpenta-2,4-dienal 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

(2E,4Z)-2-(hydroxymethyl)-6-methoxy-4-methylhepta-2,4,6-trienal
CID 88884719
methyl (E)-3-methyl-4-oxobut-2-enoate
CID 10953519
2,4-dimethoxypenta-1,3-diene
CID 90861204
6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine
CID 123158046
N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine
CID 156714992
(3Z,5E)-2-methoxy-5-methylhepta-1,3,5-triene
CID 142113111
acetaldehyde;methyl acetate;2-methylprop-2-enal
CID 174926780
(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene
CID 143875376
(3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene
CID 145066149
2-methyl(113C)prop-2-enal
CID 71749931
methyl 4-formyl-2-methylpenta-2,4-dienoate
CID 123410073
(3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-2-enal
CID 145122260

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylpenta-2,4-dienal?
The IUPAC name of 4-methoxy-2-methylpenta-2,4-dienal (CID 123705990) is 4-methoxy-2-methylpenta-2,4-dienal.
What is the SMILES notation for 4-methoxy-2-methylpenta-2,4-dienal?
The canonical SMILES for 4-methoxy-2-methylpenta-2,4-dienal is C=C(C=C(C)C=O)OC.
What is the InChIKey of 4-methoxy-2-methylpenta-2,4-dienal?
The InChIKey is YXYWKGNCJOSEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-6(5-8)4-7(2)9-3/h4-5H,2H2,1,3H3.
What are the key properties of 4-methoxy-2-methylpenta-2,4-dienal?
4-methoxy-2-methylpenta-2,4-dienal has a molecular weight of 126.15 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylpenta-2,4-dienal is sourced from PubChem (CID 123705990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).