tricosa-2,4-diynal

C23H38O — CID 173210642

IUPACtricosa-2,4-diynal
SMILESCCCCCCCCCCCCCCCCCCC#CC#CC=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,2-18H2,1H3
InChIKeyZFAXKAKQPKYIGU-UHFFFAOYSA-N
MW330.56 g/mol
LogP6.84
Rot. Bonds16

About tricosa-2,4-diynal

tricosa-2,4-diynal (PubChem CID 173210642) has the molecular formula C23H38O and a molecular weight of 330.56 g/mol. Its IUPAC name is tricosa-2,4-diynal.

Molecular Properties

Compound Nametricosa-2,4-diynal
PubChem CID173210642
Molecular FormulaC23H38O
Molecular Weight330.56 g/mol
Exact Mass330.29
IUPAC Nametricosa-2,4-diynal
SMILESCCCCCCCCCCCCCCCCCCC#CC#CC=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,2-18H2,1H3
InChIKeyZFAXKAKQPKYIGU-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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trimethyl(tridec-1-en-3,5-diynyl)silane
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nonadeca-2,4-diynyl formate
CID 87556003
(E)-octadec-7-en-9,11-diyne
CID 101092836
(E)-2-methyltridec-2-en-4,6-diynoic acid
CID 101092837
henicosa-2,4,6,8,10,12,14-heptayne
CID 176741061
hept-1-yne;nonadeca-6,8-diyne
CID 91221383
dodeca-2,4-diyn-1-ol
CID 11816199
henicos-8-yne
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N-ethylicosa-5,7-diyn-1-amine
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Frequently Asked Questions

What is the IUPAC name of tricosa-2,4-diynal?
The IUPAC name of tricosa-2,4-diynal (CID 173210642) is tricosa-2,4-diynal.
What is the SMILES notation for tricosa-2,4-diynal?
The canonical SMILES for tricosa-2,4-diynal is CCCCCCCCCCCCCCCCCCC#CC#CC=O.
What is the InChIKey of tricosa-2,4-diynal?
The InChIKey is ZFAXKAKQPKYIGU-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,2-18H2,1H3.
What are the key properties of tricosa-2,4-diynal?
tricosa-2,4-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-2,4-diynal is sourced from PubChem (CID 173210642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).