(2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-dienal

C23H33NO — CID 10664833

IUPAC(2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-dienal
SMILESCCN(/C=C(C=O)\C(=C\[C@@H](C)CCC=C(C)C)c1ccccc1)CC
InChIInChI=1S/C23H33NO/c1-6-24(7-2)17-22(18-25)23(21-14-9-8-10-15-21)16-20(5)13-11-12-19(3)4/h8-10,12,14-18,20H,6-7,11,13H2,1-5H3/b22-17-,23-16+/t20-/m0/s1
InChIKeySBPGOIQQVPJRJC-PLYWQQORSA-N
MW339.52 g/mol
LogP5.88
Rot. Bonds10

About (2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-dienal

(2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-dienal (PubChem CID 10664833) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is (2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-dienal.

Molecular Properties

Compound Name(2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-dienal
PubChem CID10664833
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name(2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-dienal
SMILESCCN(/C=C(C=O)\C(=C\[C@@H](C)CCC=C(C)C)c1ccccc1)CC
InChIInChI=1S/C23H33NO/c1-6-24(7-2)17-22(18-25)23(21-14-9-8-10-15-21)16-20(5)13-11-12-19(3)4/h8-10,12,14-18,20H,6-7,11,13H2,1-5H3/b22-17-,23-16+/t20-/m0/s1
InChIKeySBPGOIQQVPJRJC-PLYWQQORSA-N
XLogP5.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-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

benzoic acid;N,6-dimethylhept-5-en-2-amine
CID 138630133
tert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane
CID 14710921
(1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine
CID 11042011
benzaldehyde;3,7-dimethyloct-6-enal
CID 87489443
2,6-dimethylhept-5-enal
CID 158364508
2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol
CID 175173281
(E)-4-(diethylamino)-1-methoxy-3-phenylbut-3-en-2-one
CID 70608998
3-phenylhex-3-en-2-one
CID 130637770
[(2S,3S)-1-hydroxy-3,7-dimethyloct-6-en-2-yl] benzoate
CID 102525258
2-(3,7-dimethyloct-6-enoxy)-1-phenylethanone
CID 121429527
ethyl (Z)-6-(diethylamino)-3-methyl-6-oxo-5-phenylhex-4-enoate
CID 177415041
6-methyl-2-phenylhepta-2,5-dienoic acid
CID 67553711

Frequently Asked Questions

What is the IUPAC name of (2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-dienal?
The IUPAC name of (2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-dienal (CID 10664833) is (2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-dienal.
What is the SMILES notation for (2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-dienal?
The canonical SMILES for (2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-dienal is CCN(/C=C(C=O)\C(=C\[C@@H](C)CCC=C(C)C)c1ccccc1)CC.
What is the InChIKey of (2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-dienal?
The InChIKey is SBPGOIQQVPJRJC-PLYWQQORSA-N. The full InChI is InChI=1S/C23H33NO/c1-6-24(7-2)17-22(18-25)23(21-14-9-8-10-15-21)16-20(5)13-11-12-19(3)4/h8-10,12,14-18,20H,6-7,11,13H2,1-5H3/b22-17-,23-16+/t20-/m0/s1.
What are the key properties of (2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-dienal?
(2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-dienal has a molecular weight of 339.52 g/mol, XLogP of 5.88, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-dienal is sourced from PubChem (CID 10664833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).