22-methyltricosa-2,4-dienedial

C24H42O2 — CID 123901911

IUPAC22-methyltricosa-2,4-dienedial
SMILESCC(C=O)CCCCCCCCCCCCCCCCC=CC=CC=O
InChIInChI=1S/C24H42O2/c1-24(23-26)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-25/h14,16,18,20,22-24H,2-13,15,17,19,21H2,1H3
InChIKeyNGWIIVZCSQIEMZ-UHFFFAOYSA-N
MW362.60 g/mol
LogP7.37
Rot. Bonds20

About 22-methyltricosa-2,4-dienedial

22-methyltricosa-2,4-dienedial (PubChem CID 123901911) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 22-methyltricosa-2,4-dienedial.

Molecular Properties

Compound Name22-methyltricosa-2,4-dienedial
PubChem CID123901911
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name22-methyltricosa-2,4-dienedial
SMILESCC(C=O)CCCCCCCCCCCCCCCCC=CC=CC=O
InChIInChI=1S/C24H42O2/c1-24(23-26)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-25/h14,16,18,20,22-24H,2-13,15,17,19,21H2,1H3
InChIKeyNGWIIVZCSQIEMZ-UHFFFAOYSA-N
XLogP7.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.37
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'}

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Related Compounds

(E)-13-methyltetradec-2-enal
CID 11333582
2,9-dimethyldecanal
CID 21437669
14-methyl-15-oxopentadec-2-enoic acid
CID 163045646
icosa-2,4,6-trienal
CID 54359003
(2Z,4E)-heptadeca-2,4-dienal
CID 167495571
(2E,4E)-dodeca-2,4-dienal
CID 5367530
2-methylundec-10-enal
CID 547085
(2Z,4E)-octadeca-2,4,6,15-tetraenal
CID 175749162
(2Z)-deca-2,4-dienal
CID 87792972
2-methyldecanal;undecanal
CID 159845344
(8E,10E)-12-oxododeca-8,10-dienenitrile
CID 87790760
2-methylundecanal;tetradecanal
CID 87951053

Frequently Asked Questions

What is the IUPAC name of 22-methyltricosa-2,4-dienedial?
The IUPAC name of 22-methyltricosa-2,4-dienedial (CID 123901911) is 22-methyltricosa-2,4-dienedial.
What is the SMILES notation for 22-methyltricosa-2,4-dienedial?
The canonical SMILES for 22-methyltricosa-2,4-dienedial is CC(C=O)CCCCCCCCCCCCCCCCC=CC=CC=O.
What is the InChIKey of 22-methyltricosa-2,4-dienedial?
The InChIKey is NGWIIVZCSQIEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-24(23-26)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-25/h14,16,18,20,22-24H,2-13,15,17,19,21H2,1H3.
What are the key properties of 22-methyltricosa-2,4-dienedial?
22-methyltricosa-2,4-dienedial has a molecular weight of 362.60 g/mol, XLogP of 7.37, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 22-methyltricosa-2,4-dienedial is sourced from PubChem (CID 123901911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).