tricosa-10,12-diynal

C23H38O — CID 54454154

IUPACtricosa-10,12-diynal
SMILESCCCCCCCCCCC#CC#CCCCCCCCCC=O
InChIInChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h23H,2-10,15-22H2,1H3
InChIKeyXBKABEVRNCNUOZ-UHFFFAOYSA-N
MW330.56 g/mol
LogP6.84
Rot. Bonds16

About tricosa-10,12-diynal

tricosa-10,12-diynal (PubChem CID 54454154) has the molecular formula C23H38O and a molecular weight of 330.56 g/mol. Its IUPAC name is tricosa-10,12-diynal.

Molecular Properties

Compound Nametricosa-10,12-diynal
PubChem CID54454154
Molecular FormulaC23H38O
Molecular Weight330.56 g/mol
Exact Mass330.29
IUPAC Nametricosa-10,12-diynal
SMILESCCCCCCCCCCC#CC#CCCCCCCCCC=O
InChIInChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h23H,2-10,15-22H2,1H3
InChIKeyXBKABEVRNCNUOZ-UHFFFAOYSA-N
XLogP6.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 54246373
octadec-6-ynal
CID 87656650
pentadec-4-ynal
CID 15530597
decanal;decane
CID 157361056
tetrakis(rhodium);tridecanal
CID 173078093
azane;octadecanal
CID 87079794
tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
decanal;dihydrochloride
CID 87616227
undecanal;hydrate
CID 154984235
ruthenium;tridecanal
CID 175429355
tricosa-2,4-diynal
CID 173210642
calcium;hydride;octanal
CID 173446851

Frequently Asked Questions

What is the IUPAC name of tricosa-10,12-diynal?
The IUPAC name of tricosa-10,12-diynal (CID 54454154) is tricosa-10,12-diynal.
What is the SMILES notation for tricosa-10,12-diynal?
The canonical SMILES for tricosa-10,12-diynal is CCCCCCCCCCC#CC#CCCCCCCCCC=O.
What is the InChIKey of tricosa-10,12-diynal?
The InChIKey is XBKABEVRNCNUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h23H,2-10,15-22H2,1H3.
What are the key properties of tricosa-10,12-diynal?
tricosa-10,12-diynal has a molecular weight of 330.56 g/mol, XLogP of 6.84, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricosa-10,12-diynal is sourced from PubChem (CID 54454154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).