(2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal

C23H28O2 — CID 15500974

IUPAC(2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal
SMILESCCCCCCOc1ccc(/C=C/C=C/C=C/C=C/C=C/C=O)cc1
InChIInChI=1S/C23H28O2/c1-2-3-4-14-21-25-23-18-16-22(17-19-23)15-12-10-8-6-5-7-9-11-13-20-24/h5-13,15-20H,2-4,14,21H2,1H3/b6-5+,9-7+,10-8+,13-11+,15-12+
InChIKeyPRKSSQPZSQKTKS-IWBKVHHHSA-N
MW336.48 g/mol
LogP6.08
Rot. Bonds12

About (2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal

(2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal (PubChem CID 15500974) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal
PubChem CID15500974
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name(2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal
SMILESCCCCCCOc1ccc(/C=C/C=C/C=C/C=C/C=C/C=O)cc1
InChIInChI=1S/C23H28O2/c1-2-3-4-14-21-25-23-18-16-22(17-19-23)15-12-10-8-6-5-7-9-11-13-20-24/h5-13,15-20H,2-4,14,21H2,1H3/b6-5+,9-7+,10-8+,13-11+,15-12+
InChIKeyPRKSSQPZSQKTKS-IWBKVHHHSA-N
XLogP6.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal with MolForge

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Related Compounds

(E)-3-(4-nonoxyphenyl)prop-2-enal
CID 87527028
fluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal
CID 142526280
4-[(1E,3E)-4-(4-hexadecoxyphenyl)buta-1,3-dienyl]benzonitrile
CID 101352465
4-[(1E,3E)-4-(4-dodecoxyphenyl)buta-1,3-dienyl]benzonitrile
CID 101332752
4-icosoxybenzaldehyde
CID 23127488
methyl (2E,4Z)-5-(4-octoxyphenyl)penta-2,4-dienoate
CID 5372840
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 11094483
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306
3-[4-[3-(dimethylamino)propoxy]phenyl]prop-2-enal
CID 140994442
1-hexoxy-4-[(E)-pent-1-enyl]benzene
CID 173201966
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal?
The IUPAC name of (2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal (CID 15500974) is (2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal.
What is the SMILES notation for (2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal?
The canonical SMILES for (2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal is CCCCCCOc1ccc(/C=C/C=C/C=C/C=C/C=C/C=O)cc1.
What is the InChIKey of (2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal?
The InChIKey is PRKSSQPZSQKTKS-IWBKVHHHSA-N. The full InChI is InChI=1S/C23H28O2/c1-2-3-4-14-21-25-23-18-16-22(17-19-23)15-12-10-8-6-5-7-9-11-13-20-24/h5-13,15-20H,2-4,14,21H2,1H3/b6-5+,9-7+,10-8+,13-11+,15-12+.
What are the key properties of (2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal?
(2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal has a molecular weight of 336.48 g/mol, XLogP of 6.08, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal is sourced from PubChem (CID 15500974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).