tetraconta-15,17,19,21,23,25-hexayne

C40H58 — CID 71342927

IUPACtetraconta-15,17,19,21,23,25-hexayne
SMILESCCCCCCCCCCCCCCC#CC#CC#CC#CC#CC#CCCCCCCCCCCCCCC
InChIInChI=1S/C40H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKeyZVJSYQMQZYQALB-UHFFFAOYSA-N
MW538.90 g/mol
LogP11.19
Rot. Bonds24

About tetraconta-15,17,19,21,23,25-hexayne

tetraconta-15,17,19,21,23,25-hexayne (PubChem CID 71342927) has the molecular formula C40H58 and a molecular weight of 538.90 g/mol. Its IUPAC name is tetraconta-15,17,19,21,23,25-hexayne.

Molecular Properties

Compound Nametetraconta-15,17,19,21,23,25-hexayne
PubChem CID71342927
Molecular FormulaC40H58
Molecular Weight538.90 g/mol
Exact Mass538.45
IUPAC Nametetraconta-15,17,19,21,23,25-hexayne
SMILESCCCCCCCCCCCCCCC#CC#CC#CC#CC#CC#CCCCCCCCCCCCCCC
InChIInChI=1S/C40H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKeyZVJSYQMQZYQALB-UHFFFAOYSA-N
XLogP11.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.90
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tetraconta-15,17,19,21,23,25-hexayne with MolForge

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

Launch Full Analysis

Related Compounds

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
CID 22224321
undeca-3,5-diyn-1-ol
CID 15306342
1-iodonona-1,3-diyne
CID 11806932
trimethyl(tetracosa-5,7-diynyl)azanium
CID 101024273
hexadeca-9,11-diyn-1-ol
CID 24975633
tricosa-2,4-diynal
CID 173210642
triaconta-14,16-diynal
CID 54246373
docosa-4,6-diynoic acid
CID 155657987
N-ethylicosa-5,7-diyn-1-amine
CID 87662527

Frequently Asked Questions

What is the IUPAC name of tetraconta-15,17,19,21,23,25-hexayne?
The IUPAC name of tetraconta-15,17,19,21,23,25-hexayne (CID 71342927) is tetraconta-15,17,19,21,23,25-hexayne.
What is the SMILES notation for tetraconta-15,17,19,21,23,25-hexayne?
The canonical SMILES for tetraconta-15,17,19,21,23,25-hexayne is CCCCCCCCCCCCCCC#CC#CC#CC#CC#CC#CCCCCCCCCCCCCCC.
What is the InChIKey of tetraconta-15,17,19,21,23,25-hexayne?
The InChIKey is ZVJSYQMQZYQALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3.
What are the key properties of tetraconta-15,17,19,21,23,25-hexayne?
tetraconta-15,17,19,21,23,25-hexayne has a molecular weight of 538.90 g/mol, XLogP of 11.19, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraconta-15,17,19,21,23,25-hexayne is sourced from PubChem (CID 71342927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).