(2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal

C16H20O — CID 66552235

IUPAC(2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal
SMILESCC/C(C=O)=C\C(=C\Cc1ccccc1)CC
InChIInChI=1S/C16H20O/c1-3-14(12-15(4-2)13-17)10-11-16-8-6-5-7-9-16/h5-10,12-13H,3-4,11H2,1-2H3/b14-10+,15-12+
InChIKeyYNTTYYVDVSWGOQ-VDQVFBMKSA-N
MW228.34 g/mol
LogP4.10
Rot. Bonds6

About (2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal

(2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal (PubChem CID 66552235) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is (2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal
PubChem CID66552235
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name(2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal
SMILESCC/C(C=O)=C\C(=C\Cc1ccccc1)CC
InChIInChI=1S/C16H20O/c1-3-14(12-15(4-2)13-17)10-11-16-8-6-5-7-9-16/h5-10,12-13H,3-4,11H2,1-2H3/b14-10+,15-12+
InChIKeyYNTTYYVDVSWGOQ-VDQVFBMKSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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1-amino-3-phenylprop-1-en-1-ol
CID 67202427
N-methylmethanamine;2-phenylacetaldehyde
CID 175168726
N,N-dimethylmethanamine;2-phenylacetaldehyde
CID 87974312
(E)-2-benzyl-3-iodoprop-2-enal
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butanal;2-phenylacetaldehyde
CID 161135702

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal?
The IUPAC name of (2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal (CID 66552235) is (2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal.
What is the SMILES notation for (2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal?
The canonical SMILES for (2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal is CC/C(C=O)=C\C(=C\Cc1ccccc1)CC.
What is the InChIKey of (2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal?
The InChIKey is YNTTYYVDVSWGOQ-VDQVFBMKSA-N. The full InChI is InChI=1S/C16H20O/c1-3-14(12-15(4-2)13-17)10-11-16-8-6-5-7-9-16/h5-10,12-13H,3-4,11H2,1-2H3/b14-10+,15-12+.
What are the key properties of (2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal?
(2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal has a molecular weight of 228.34 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal is sourced from PubChem (CID 66552235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).