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

C13H16O — CID 71465644

IUPAC(E)-4-methyl-5-(4-methylphenyl)pent-4-enal
SMILESC/C(=C\c1ccc(C)cc1)CCC=O
InChIInChI=1S/C13H16O/c1-11-5-7-13(8-6-11)10-12(2)4-3-9-14/h5-10H,3-4H2,1-2H3/b12-10+
InChIKeyLBKHGAIELUNYML-ZRDIBKRKSA-N
MW188.27 g/mol
LogP3.38
Rot. Bonds4

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

(E)-4-methyl-5-(4-methylphenyl)pent-4-enal (PubChem CID 71465644) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (E)-4-methyl-5-(4-methylphenyl)pent-4-enal.

Molecular Properties

Compound Name(E)-4-methyl-5-(4-methylphenyl)pent-4-enal
PubChem CID71465644
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(E)-4-methyl-5-(4-methylphenyl)pent-4-enal
SMILESC/C(=C\c1ccc(C)cc1)CCC=O
InChIInChI=1S/C13H16O/c1-11-5-7-13(8-6-11)10-12(2)4-3-9-14/h5-10H,3-4H2,1-2H3/b12-10+
InChIKeyLBKHGAIELUNYML-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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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-5-(4-methylphenyl)pent-4-enal?
The IUPAC name of (E)-4-methyl-5-(4-methylphenyl)pent-4-enal (CID 71465644) is (E)-4-methyl-5-(4-methylphenyl)pent-4-enal.
What is the SMILES notation for (E)-4-methyl-5-(4-methylphenyl)pent-4-enal?
The canonical SMILES for (E)-4-methyl-5-(4-methylphenyl)pent-4-enal is C/C(=C\c1ccc(C)cc1)CCC=O.
What is the InChIKey of (E)-4-methyl-5-(4-methylphenyl)pent-4-enal?
The InChIKey is LBKHGAIELUNYML-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H16O/c1-11-5-7-13(8-6-11)10-12(2)4-3-9-14/h5-10H,3-4H2,1-2H3/b12-10+.
What are the key properties of (E)-4-methyl-5-(4-methylphenyl)pent-4-enal?
(E)-4-methyl-5-(4-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-(4-methylphenyl)pent-4-enal is sourced from PubChem (CID 71465644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).