(E)-2,4-dimethyl-5-phenylpent-4-enal

C13H16O — CID 58390606

IUPAC(E)-2,4-dimethyl-5-phenylpent-4-enal
SMILESC/C(=C\c1ccccc1)CC(C)C=O
InChIInChI=1S/C13H16O/c1-11(8-12(2)10-14)9-13-6-4-3-5-7-13/h3-7,9-10,12H,8H2,1-2H3/b11-9+
InChIKeyQZZADZGOIHGEKN-PKNBQFBNSA-N
MW188.27 g/mol
LogP3.32
Rot. Bonds4

About (E)-2,4-dimethyl-5-phenylpent-4-enal

(E)-2,4-dimethyl-5-phenylpent-4-enal (PubChem CID 58390606) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (E)-2,4-dimethyl-5-phenylpent-4-enal.

Molecular Properties

Compound Name(E)-2,4-dimethyl-5-phenylpent-4-enal
PubChem CID58390606
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(E)-2,4-dimethyl-5-phenylpent-4-enal
SMILESC/C(=C\c1ccccc1)CC(C)C=O
InChIInChI=1S/C13H16O/c1-11(8-12(2)10-14)9-13-6-4-3-5-7-13/h3-7,9-10,12H,8H2,1-2H3/b11-9+
InChIKeyQZZADZGOIHGEKN-PKNBQFBNSA-N
XLogP3.32
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 ≤ 53.32
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-phenylbut-3-enamide
CID 23660
5-methyl-2,6-diphenylhex-5-enal
CID 173438897
2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide
CID 69252913
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
(E)-2-cyano-4-methyl-5-phenylpent-4-enamide
CID 57397722
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
3-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butan-1-amine;hydrochloride
CID 115605434
trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane
CID 102166137
N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
CID 75598908
3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide
CID 115875443
[(1Z)-2-methylpenta-1,4-dienyl]benzene
CID 14247244
5-methyl-6-phenylhex-5-en-3-one
CID 71411119

Frequently Asked Questions

What is the IUPAC name of (E)-2,4-dimethyl-5-phenylpent-4-enal?
The IUPAC name of (E)-2,4-dimethyl-5-phenylpent-4-enal (CID 58390606) is (E)-2,4-dimethyl-5-phenylpent-4-enal.
What is the SMILES notation for (E)-2,4-dimethyl-5-phenylpent-4-enal?
The canonical SMILES for (E)-2,4-dimethyl-5-phenylpent-4-enal is C/C(=C\c1ccccc1)CC(C)C=O.
What is the InChIKey of (E)-2,4-dimethyl-5-phenylpent-4-enal?
The InChIKey is QZZADZGOIHGEKN-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H16O/c1-11(8-12(2)10-14)9-13-6-4-3-5-7-13/h3-7,9-10,12H,8H2,1-2H3/b11-9+.
What are the key properties of (E)-2,4-dimethyl-5-phenylpent-4-enal?
(E)-2,4-dimethyl-5-phenylpent-4-enal has a molecular weight of 188.27 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,4-dimethyl-5-phenylpent-4-enal is sourced from PubChem (CID 58390606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).