2,6,10-trimethyldocos-9-enedial

C25H46O2 — CID 57018109

IUPAC2,6,10-trimethyldocos-9-enedial
SMILESCC(=CCCC(C)CCCC(C)C=O)CCCCCCCCCCCC=O
InChIInChI=1S/C25H46O2/c1-23(17-14-18-24(2)19-15-20-25(3)22-27)16-12-10-8-6-4-5-7-9-11-13-21-26/h17,21-22,24-25H,4-16,18-20H2,1-3H3
InChIKeyUKEASVCVEANTOL-UHFFFAOYSA-N
MW378.64 g/mol
LogP7.84
Rot. Bonds20

About 2,6,10-trimethyldocos-9-enedial

2,6,10-trimethyldocos-9-enedial (PubChem CID 57018109) has the molecular formula C25H46O2 and a molecular weight of 378.64 g/mol. Its IUPAC name is 2,6,10-trimethyldocos-9-enedial.

Molecular Properties

Compound Name2,6,10-trimethyldocos-9-enedial
PubChem CID57018109
Molecular FormulaC25H46O2
Molecular Weight378.64 g/mol
Exact Mass378.35
IUPAC Name2,6,10-trimethyldocos-9-enedial
SMILESCC(=CCCC(C)CCCC(C)C=O)CCCCCCCCCCCC=O
InChIInChI=1S/C25H46O2/c1-23(17-14-18-24(2)19-15-20-25(3)22-27)16-12-10-8-6-4-5-7-9-11-13-21-26/h17,21-22,24-25H,4-16,18-20H2,1-3H3
InChIKeyUKEASVCVEANTOL-UHFFFAOYSA-N
XLogP7.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.64
LogP ≤ 57.84
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,6,10-trimethyldocos-9-enedial with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6,10-trimethyldocos-9-enedial?
The IUPAC name of 2,6,10-trimethyldocos-9-enedial (CID 57018109) is 2,6,10-trimethyldocos-9-enedial.
What is the SMILES notation for 2,6,10-trimethyldocos-9-enedial?
The canonical SMILES for 2,6,10-trimethyldocos-9-enedial is CC(=CCCC(C)CCCC(C)C=O)CCCCCCCCCCCC=O.
What is the InChIKey of 2,6,10-trimethyldocos-9-enedial?
The InChIKey is UKEASVCVEANTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O2/c1-23(17-14-18-24(2)19-15-20-25(3)22-27)16-12-10-8-6-4-5-7-9-11-13-21-26/h17,21-22,24-25H,4-16,18-20H2,1-3H3.
What are the key properties of 2,6,10-trimethyldocos-9-enedial?
2,6,10-trimethyldocos-9-enedial has a molecular weight of 378.64 g/mol, XLogP of 7.84, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethyldocos-9-enedial is sourced from PubChem (CID 57018109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).