11-propylicos-5-yne

C23H44 — CID 22224119

IUPAC11-propylicos-5-yne
SMILESCCCCC#CCCCCC(CCC)CCCCCCCCC
InChIInChI=1S/C23H44/c1-4-7-9-11-13-15-17-19-22-23(20-6-3)21-18-16-14-12-10-8-5-2/h23H,4-10,12,14-22H2,1-3H3
InChIKeyVJBUQOMUELOZRU-UHFFFAOYSA-N
MW320.61 g/mol
LogP8.30
Rot. Bonds16

About 11-propylicos-5-yne

11-propylicos-5-yne (PubChem CID 22224119) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is 11-propylicos-5-yne.

Molecular Properties

Compound Name11-propylicos-5-yne
PubChem CID22224119
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Name11-propylicos-5-yne
SMILESCCCCC#CCCCCC(CCC)CCCCCCCCC
InChIInChI=1S/C23H44/c1-4-7-9-11-13-15-17-19-22-23(20-6-3)21-18-16-14-12-10-8-5-2/h23H,4-10,12,14-22H2,1-3H3
InChIKeyVJBUQOMUELOZRU-UHFFFAOYSA-N
XLogP8.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 58.30
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 11-propylicos-5-yne 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

13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
6-propyltetracosane
CID 91039357
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
5-propylpentacosane
CID 91493421
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
6-pentyldocosane
CID 90762104
17-pentylhexatriacontane
CID 91327833

Frequently Asked Questions

What is the IUPAC name of 11-propylicos-5-yne?
The IUPAC name of 11-propylicos-5-yne (CID 22224119) is 11-propylicos-5-yne.
What is the SMILES notation for 11-propylicos-5-yne?
The canonical SMILES for 11-propylicos-5-yne is CCCCC#CCCCCC(CCC)CCCCCCCCC.
What is the InChIKey of 11-propylicos-5-yne?
The InChIKey is VJBUQOMUELOZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44/c1-4-7-9-11-13-15-17-19-22-23(20-6-3)21-18-16-14-12-10-8-5-2/h23H,4-10,12,14-22H2,1-3H3.
What are the key properties of 11-propylicos-5-yne?
11-propylicos-5-yne has a molecular weight of 320.61 g/mol, XLogP of 8.30, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-propylicos-5-yne is sourced from PubChem (CID 22224119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).