(E)-4-methyl-5-(3-methylphenyl)pent-4-enal

C13H16O — CID 58390610

IUPAC(E)-4-methyl-5-(3-methylphenyl)pent-4-enal
SMILESC/C(=C\c1cccc(C)c1)CCC=O
InChIInChI=1S/C13H16O/c1-11-5-3-7-13(9-11)10-12(2)6-4-8-14/h3,5,7-10H,4,6H2,1-2H3/b12-10+
InChIKeyFGCPFSNNAVGYHR-ZRDIBKRKSA-N
MW188.27 g/mol
LogP3.38
Rot. Bonds4

About (E)-4-methyl-5-(3-methylphenyl)pent-4-enal

(E)-4-methyl-5-(3-methylphenyl)pent-4-enal (PubChem CID 58390610) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (E)-4-methyl-5-(3-methylphenyl)pent-4-enal.

Molecular Properties

Compound Name(E)-4-methyl-5-(3-methylphenyl)pent-4-enal
PubChem CID58390610
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(E)-4-methyl-5-(3-methylphenyl)pent-4-enal
SMILESC/C(=C\c1cccc(C)c1)CCC=O
InChIInChI=1S/C13H16O/c1-11-5-3-7-13(9-11)10-12(2)6-4-8-14/h3,5,7-10H,4,6H2,1-2H3/b12-10+
InChIKeyFGCPFSNNAVGYHR-ZRDIBKRKSA-N
XLogP3.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(3-methylphenyl)but-3-en-2-one
CID 67408279
(2Z)-3,3-dimethyl-2-[(3-methylphenyl)methylidene]butanal
CID 115022693
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene
CID 166642881
[3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol
CID 54407939
1-(bromomethyl)-3-[(1E)-2,6-dimethylhepta-1,5-dienyl]benzene
CID 67896351
3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol
CID 79334428
(E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine
CID 103091736
(E)-1-(3-methylphenyl)hept-1-en-3-one
CID 102346622
1-methyl-3-pent-1-enylbenzene
CID 54093666
1-chloro-3-[(E)-2-methylpent-1-enyl]benzene
CID 174941626
ethyl (2E)-2-[(3-methylphenyl)methylidene]hex-5-enoate
CID 102172344

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-5-(3-methylphenyl)pent-4-enal?
The IUPAC name of (E)-4-methyl-5-(3-methylphenyl)pent-4-enal (CID 58390610) is (E)-4-methyl-5-(3-methylphenyl)pent-4-enal.
What is the SMILES notation for (E)-4-methyl-5-(3-methylphenyl)pent-4-enal?
The canonical SMILES for (E)-4-methyl-5-(3-methylphenyl)pent-4-enal is C/C(=C\c1cccc(C)c1)CCC=O.
What is the InChIKey of (E)-4-methyl-5-(3-methylphenyl)pent-4-enal?
The InChIKey is FGCPFSNNAVGYHR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H16O/c1-11-5-3-7-13(9-11)10-12(2)6-4-8-14/h3,5,7-10H,4,6H2,1-2H3/b12-10+.
What are the key properties of (E)-4-methyl-5-(3-methylphenyl)pent-4-enal?
(E)-4-methyl-5-(3-methylphenyl)pent-4-enal has a molecular weight of 188.27 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-5-(3-methylphenyl)pent-4-enal is sourced from PubChem (CID 58390610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).